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

C9H9F3N2O3 — CID 103766245

IUPAC2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)6(15)4-14-8(17)5-1-2-13-7(16)3-5/h1-3,6,15H,4H2,(H,13,16)(H,14,17)
InChIKeyCRFLEDQXPWLHJU-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.03
Rot. Bonds3

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

2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide (PubChem CID 103766245) 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-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide
PubChem CID103766245
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)6(15)4-14-8(17)5-1-2-13-7(16)3-5/h1-3,6,15H,4H2,(H,13,16)(H,14,17)
InChIKeyCRFLEDQXPWLHJU-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-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

5-bromo-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 164642588
N-(2-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43418289
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 54877498
1-[3-(Ethylamino)-2-hydroxypropyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171096
1-(3-Amino-2-hydroxypropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279951
1-[2-Hydroxy-3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279952
1-[3-(Cyclopropylamino)-2-hydroxypropyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279994
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279995
1-[2-Hydroxy-3-(propylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280037
N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 78845446
1-[3-(Ethylamino)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319992
1-[2-Hydroxy-3-(methylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320105

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide (CID 103766245) is 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide is O=C(NCC(O)C(F)(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide?
The InChIKey is CRFLEDQXPWLHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)6(15)4-14-8(17)5-1-2-13-7(16)3-5/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-4-carboxamide?
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-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-4-carboxamide is sourced from PubChem (CID 103766245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).