3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide

C14H12N6O — CID 104741177

IUPAC3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C14H12N6O/c15-10-4-3-7-16-13(10)14(21)18-11-5-1-2-6-12(11)20-9-8-17-19-20/h1-9H,15H2,(H,18,21)
InChIKeyVUJFIUSBWKRUKB-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide

3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 104741177) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID104741177
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C14H12N6O/c15-10-4-3-7-16-13(10)14(21)18-11-5-1-2-6-12(11)20-9-8-17-19-20/h1-9H,15H2,(H,18,21)
InChIKeyVUJFIUSBWKRUKB-UHFFFAOYSA-N
XLogP1.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
N-thiophen-3-yl-3-(triazol-1-yl)pyridine-2-carboxamide
CID 66633900
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
2-bromo-N-[2-(triazol-1-yl)phenyl]furan-3-carboxamide
CID 106853061
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
CID 103737699
N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
CID 122140618

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide (CID 104741177) is 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is VUJFIUSBWKRUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-10-4-3-7-16-13(10)14(21)18-11-5-1-2-6-12(11)20-9-8-17-19-20/h1-9H,15H2,(H,18,21).
What are the key properties of 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).