1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide

C14H12N6O2 — CID 47057796

IUPAC1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O
InChIInChI=1S/C14H12N6O2/c1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10/h2-8H,1H3,(H2,16,17,18,19,22)
InChIKeyKQXQZUMQBZPLGZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.82
Rot. Bonds3

About 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide

1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide (PubChem CID 47057796) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide
PubChem CID47057796
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O
InChIInChI=1S/C14H12N6O2/c1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10/h2-8H,1H3,(H2,16,17,18,19,22)
InChIKeyKQXQZUMQBZPLGZ-UHFFFAOYSA-N
XLogP0.82
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide (CID 47057796) is 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide is Cn1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The InChIKey is KQXQZUMQBZPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10/h2-8H,1H3,(H2,16,17,18,19,22).
What are the key properties of 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 47057796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).