Chemical ID: 4121693

c1ccc(c(c1)N)NC(=O)c2ccccn2
Chemical ID:
4121693
Name [?]:
N-(2-aminophenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccc(c(c1)N)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C12H11N3O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,13H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,6,3,12,15,5,4,11,9,7,16,8,10/rA:16nCCCCCCNNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.87963
Area:390.52
Solvation:-1.88338
Coulombic:-45.2482
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.235
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.01
LogP (Chemaxon):1.41

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue