Chemical ID: 7354779

c1ccc(cc1)C(=NNC(=O)c2cccnc2)Cc3[nH]ccn3
Chemical ID:
7354779
Name [?]:
N-[2-(1H-imidazol-2-yl)-1-phenyl-ethylidene]aminopyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)C(=NNC(=O)c2cccnc2)Cc3[nH]ccn3
InChi [?]:
InChI=1/C17H15N5O/c23-17(14-7-4-8-18-12-14)22-21-15(11-16-19-9-10-20-16)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,20)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,15,21,22,18,17,4,12,7,19,10,16,20,23,8,9,11/E:(2,3)(5,6)(9,10)(19,20)/rA:23nCCCCCCCNNCOCCCCNCCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s7;s18;s19;s20;d21;d19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N5O
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.1594
Area:514.832
Solvation:-4.71139
Coulombic:-38.6105
Bond Count [?]
All:25
Single:15
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:305.334
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.37
LogP (Chemaxon):1.63

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