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Chemical ID: 6482711

CCC(=O)Nc1ccccc1C(=O)N2CCC(CC2)c3nc(no3)c4ccncc4

Chemical ID:

6482711

Name [?]:

N-[2-[[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonyl]phenyl]propanamide

SMILES [?]:

CCC(=O)Nc1ccccc1C(=O)N2CCC(CC2)c3nc(no3)c4ccncc4

InChi [?]:

InChI=1/C22H23N5O3/c1-2-19(28)24-18-6-4-3-5-17(18)22(29)27-13-9-16(10-14-27)21-25-20(26-30-21)15-7-11-23-12-8-15/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,2,9,8,10,7,26,30,16,18,27,29,15,19,25,17,11,6,3,22,20,12,28,5,21,23,14,4,13,24/E:(7,8)(9,10)(11,12)(13,14)/rA:30nCCCONCCCCCCCONCCCCCCNCNOCCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₅O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6627
Area:	637.195
Solvation:	-4.26714
Coulombic:	-52.9598

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	405.45
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.64
LogP (Chemaxon):	2.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value