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Chemical ID: 3856248

CCOc1cc(c(cc1NC(=O)c2ccc(cc2)OC)OCC)NC(=O)c3cccnc3

Chemical ID:

3856248

Name [?]:

N-[2,5-diethoxy-4-(4-methoxybenzoyl)amino-phenyl]pyridine-3-carboxamide

SMILES [?]:

CCOc1cc(c(cc1NC(=O)c2ccc(cc2)OC)OCC)NC(=O)c3cccnc3

InChi [?]:

InChI=1/C24H25N3O5/c1-4-31-21-14-20(27-24(29)17-7-6-12-25-15-17)22(32-5-2)13-19(21)26-23(28)16-8-10-18(30-3)11-9-16/h6-15H,4-5H2,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,23,20,2,22,29,28,14,18,15,17,30,8,5,32,13,27,16,9,6,4,7,11,25,31,10,24,12,26,19,3,21/E:(8,9)(10,11)/rA:32nCCOCCCCCCNCOCCCCCCOCOCCNCOCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s7;s21;s22;s6;s24;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3397
Area:	685.838
Solvation:	-5.80619
Coulombic:	-69.691

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	435.473
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.88
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

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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