N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide

C14H16FN5O2 — CID 136554339

IUPACN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1nnc2n1CC(NC(=O)c1cc(F)c[nH]c1=O)CC2
InChIInChI=1S/C14H16FN5O2/c1-2-11-18-19-12-4-3-9(7-20(11)12)17-14(22)10-5-8(15)6-16-13(10)21/h5-6,9H,2-4,7H2,1H3,(H,16,21)(H,17,22)
InChIKeyCSBOFKGFUUIWMG-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.41
Rot. Bonds3

About N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide

N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 136554339) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID136554339
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1nnc2n1CC(NC(=O)c1cc(F)c[nH]c1=O)CC2
InChIInChI=1S/C14H16FN5O2/c1-2-11-18-19-12-4-3-9(7-20(11)12)17-14(22)10-5-8(15)6-16-13(10)21/h5-6,9H,2-4,7H2,1H3,(H,16,21)(H,17,22)
InChIKeyCSBOFKGFUUIWMG-UHFFFAOYSA-N
XLogP0.41
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 72050252
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72142904
6-oxo-N-((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-1,6-dihydropyridine-3-carboxamide
CID 119104838
6-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129357746
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
CID 11952626
1-[2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
CID 73151873
1-(3-methoxypropyl)-3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 91957007
1-methyl-2-oxo-N-((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-1,2-dihydropyridine-3-carboxamide
CID 121022024
6-oxo-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129357745
1-methyl-2-oxo-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357846
1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357847
5-fluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 136554348

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide (CID 136554339) is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide is CCc1nnc2n1CC(NC(=O)c1cc(F)c[nH]c1=O)CC2.
What is the InChIKey of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CSBOFKGFUUIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-2-11-18-19-12-4-3-9(7-20(11)12)17-14(22)10-5-8(15)6-16-13(10)21/h5-6,9H,2-4,7H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide?
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluoro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136554339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).