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Chemical ID: 4121693
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
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Experimental Annotations
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Descriptor Annotations
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