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Chemical ID: 5895368

c1ccc2c(c1)cccc2C(=O)Nc3ccc(c(c3)C(=O)NC4CC4)N5CCCCC5

Chemical ID:

5895368

Name [?]:

N-[3-(cyclopropylcarbamoyl)-4-(1-piperidyl)phenyl]naphthalene-1-carboxamide

SMILES [?]:

c1ccc2c(c1)cccc2C(=O)Nc3ccc(c(c3)C(=O)NC4CC4)N5CCCCC5

InChi [?]:

InChI=1/C26H27N3O2/c30-25(22-10-6-8-18-7-2-3-9-21(18)22)28-20-13-14-24(29-15-4-1-5-16-29)23(17-20)26(31)27-19-11-12-19/h2-3,6-10,13-14,17,19H,1,4-5,11-12,15-16H2,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:29,1,2,28,30,8,6,7,3,9,24,25,15,16,27,31,19,5,23,14,4,10,18,17,11,20,22,13,26,12,21/E:(4,5)(11,12)(15,16)/rA:31nCCCCCCCCCCCONCCCCCCCONCCCNCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s23s24;s17;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3083
Area:	645.094
Solvation:	-3.81904
Coulombic:	-50.3178

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	413.512
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.28
LogP (Chemaxon):	4.38

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