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Chemical ID: 6406438

Chemical ID:

6406438

Name [?]:

2-benzylaminopyridine-3-carboxamide

SMILES [?]:

c1ccc(cc1)CNc2c(cccn2)C(=O)N

InChi [?]:

InChI=1/C13H13N3O/c14-12(17)11-7-4-8-15-13(11)16-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,17)(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,3,5,11,13,7,4,10,15,9,17,14,8,16/E:(2,3)(5,6)/rA:17nCCCCCCCNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s10;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₃N₃O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.73266
Area:	414.164
Solvation:	-2.62143
Coulombic:	-44.1871

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	227.262
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.17
LogP (Chemaxon):	2.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value