N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H12F2N2O3 — CID 51726356

IUPACN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H12F2N2O3/c15-9-2-3-10(11(16)5-9)12(19)7-18-14(21)8-1-4-13(20)17-6-8/h1-6,12,19H,7H2,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyLBSXCYMJGYRDEC-GFCCVEGCSA-N
MW294.26 g/mol
LogP1.12
Rot. Bonds4

About N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 51726356) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID51726356
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H12F2N2O3/c15-9-2-3-10(11(16)5-9)12(19)7-18-14(21)8-1-4-13(20)17-6-8/h1-6,12,19H,7H2,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyLBSXCYMJGYRDEC-GFCCVEGCSA-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
(E)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylprop-2-enamide
CID 145954649
(E)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylprop-2-enamide
CID 145972885
Penipyridone C
CID 132525199
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
CID 22769471
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-3-methylbutanamide
CID 22769488
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]butanamide
CID 22769493
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-methylpropanamide
CID 22769496
2,4-Hexadienamide, 6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-
CID 6449392
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 51726356) is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LBSXCYMJGYRDEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c15-9-2-3-10(11(16)5-9)12(19)7-18-14(21)8-1-4-13(20)17-6-8/h1-6,12,19H,7H2,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-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-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51726356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).