2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide

C9H9F3N2O3 — CID 103723386

IUPAC2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc[nH]c1=O
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)6(15)4-14-8(17)5-2-1-3-13-7(5)16/h1-3,6,15H,4H2,(H,13,16)(H,14,17)
InChIKeyXKPIWVFTJDOEFE-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.03
Rot. Bonds3

About 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide

2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide (PubChem CID 103723386) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
PubChem CID103723386
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc[nH]c1=O
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)6(15)4-14-8(17)5-2-1-3-13-7(5)16/h1-3,6,15H,4H2,(H,13,16)(H,14,17)
InChIKeyXKPIWVFTJDOEFE-UHFFFAOYSA-N
XLogP0.03
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-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-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
CID 47456165
6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 36279211
N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417634
N-(1-hydroxybutan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43417949
N-(2-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43418289
N-(1-hydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43419121
1-[3-(Ethylamino)-2-hydroxypropyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171096
3-{[2-(Trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-2-ol
CID 56865113
N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 61234168
N-(2-hydroxypropyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 62333492

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide (CID 103723386) is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
The InChIKey is XKPIWVFTJDOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)6(15)4-14-8(17)5-2-1-3-13-7(5)16/h1-3,6,15H,4H2,(H,13,16)(H,14,17).
What are the key properties of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide has a molecular weight of 250.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103723386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).