2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide

C9H9F3N2O2 — CID 103765975

IUPAC2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)2-4-14-8(16)6-1-3-13-7(15)5-6/h1,3,5H,2,4H2,(H,13,15)(H,14,16)
InChIKeyRRKVGCOIYHPLAP-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.06
Rot. Bonds3

About 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide

2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide (PubChem CID 103765975) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide
PubChem CID103765975
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)2-4-14-8(16)6-1-3-13-7(15)5-6/h1,3,5H,2,4H2,(H,13,15)(H,14,16)
InChIKeyRRKVGCOIYHPLAP-UHFFFAOYSA-N
XLogP1.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
2-Oxo-1,2-dihydropyridine-4-carboxamide
CID 2762509
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
1-ethyl-2-oxo-N-{2-[(trifluoromethyl)thio]ethyl}-1,2-dihydropyridine-4-carboxamide
CID 77080610
6-oxo-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 95905654
2-oxo-N-(2-sulfanylethyl)-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 177680165
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
CID 69047390

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide (CID 103765975) is 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide is O=C(NCCC(F)(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide?
The InChIKey is RRKVGCOIYHPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)2-4-14-8(16)6-1-3-13-7(15)5-6/h1,3,5H,2,4H2,(H,13,15)(H,14,16).
What are the key properties of 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide?
2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103765975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).