N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide

C14H12F2N2O3 — CID 38507021

IUPACN-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C14H12F2N2O3/c15-10-4-3-8(6-11(10)16)12(19)7-18-14(21)9-2-1-5-17-13(9)20/h1-6,12,19H,7H2,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyIERFTEOXDZFIOA-LBPRGKRZSA-N
MW294.26 g/mol
LogP1.12
Rot. Bonds4

About N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 38507021) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID38507021
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC NameN-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C14H12F2N2O3/c15-10-4-3-8(6-11(10)16)12(19)7-18-14(21)9-2-1-5-17-13(9)20/h1-6,12,19H,7H2,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyIERFTEOXDZFIOA-LBPRGKRZSA-N
XLogP1.12
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Penipyridone A
CID 132525197
(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 11196418
(E)-N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 145952016
Penipyridone C
CID 132525199
Penipyridone D
CID 132525200
Penipyridone F
CID 132525202
Ncgc00380985-01_C18H20N2O4_
CID 75528845
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513
2,4-difluoro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43391255
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-fluorobenzamide
CID 45816390
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45884346
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 45884352

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 38507021) is N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IERFTEOXDZFIOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c15-10-4-3-8(6-11(10)16)12(19)7-18-14(21)9-2-1-5-17-13(9)20/h1-6,12,19H,7H2,(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 38507021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).