6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide

C14H10F3N5O2 — CID 91632818

IUPAC6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-1-5-22-10(20-21-12(9)22)7-19-13(24)8-3-4-11(23)18-6-8/h1-6H,7H2,(H,18,23)(H,19,24)
InChIKeyARFBMACNUMDCHT-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.37
Rot. Bonds3

About 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 91632818) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID91632818
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-1-5-22-10(20-21-12(9)22)7-19-13(24)8-3-4-11(23)18-6-8/h1-6H,7H2,(H,18,23)(H,19,24)
InChIKeyARFBMACNUMDCHT-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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Related Compounds

4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91632817
N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 91632835
6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 17483735
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91819084
5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91632820
6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 138036943
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
CID 7711373
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 91632818) is 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is ARFBMACNUMDCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-14(16,17)9-2-1-5-22-10(20-21-12(9)22)7-19-13(24)8-3-4-11(23)18-6-8/h1-6H,7H2,(H,18,23)(H,19,24).
What are the key properties of 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-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 6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91632818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).