2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide

C14H10F3N5O2 — CID 91819074

IUPAC2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESO=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-4-22-10(6-9)20-21-11(22)7-19-13(24)8-1-3-18-12(23)5-8/h1-6H,7H2,(H,18,23)(H,19,24)
InChIKeyVXBGJWUCINFYJB-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.37
Rot. Bonds3

About 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide

2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide (PubChem CID 91819074) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide
PubChem CID91819074
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide
SMILESO=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-4-22-10(6-9)20-21-11(22)7-19-13(24)8-1-3-18-12(23)5-8/h1-6H,7H2,(H,18,23)(H,19,24)
InChIKeyVXBGJWUCINFYJB-UHFFFAOYSA-N
XLogP1.37
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide (CID 91819074) is 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide is O=C(NCc1nnc2cc(C(F)(F)F)ccn12)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide?
The InChIKey is VXBGJWUCINFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-4-22-10(6-9)20-21-11(22)7-19-13(24)8-1-3-18-12(23)5-8/h1-6H,7H2,(H,18,23)(H,19,24).
What are the key properties of 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide?
2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 91819074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).