Chemical ID: 4744124

c1ccc(c(c1)C(=O)NCc2cccnc2)N
Chemical ID:
4744124
Name [?]:
2-amino-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2cccnc2)N
InChi [?]:
InChI=1/C13H13N3O/c14-12-6-2-1-5-11(12)13(17)16-9-10-4-3-7-15-8-10/h1-8H,9,14H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,16,10,11,5,4,7,17,15,9,8/rA:17nCCCCCCCONCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.0002
Area:420.335
Solvation:-2.50817
Coulombic:-43.8903
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:1.5
LogP (Chemaxon):1.28

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Descriptor Annotations

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