1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide

C21H18F2N2O3 — CID 59362730

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C21H18F2N2O3/c22-17-9-8-14(11-18(17)23)12-25-10-4-7-16(21(25)28)20(27)24-19(13-26)15-5-2-1-3-6-15/h1-11,19,26H,12-13H2,(H,24,27)/t19-/m0/s1
InChIKeyJLCQABHBDPGUGR-IBGZPJMESA-N
MW384.38 g/mol
LogP2.64
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362730) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide
PubChem CID59362730
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C21H18F2N2O3/c22-17-9-8-14(11-18(17)23)12-25-10-4-7-16(21(25)28)20(27)24-19(13-26)15-5-2-1-3-6-15/h1-11,19,26H,12-13H2,(H,24,27)/t19-/m0/s1
InChIKeyJLCQABHBDPGUGR-IBGZPJMESA-N
XLogP2.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1,N3-Bis[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
CID 24209868
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 60145527
N-cycloheptyl-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 76332298
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-5-phenylpyridine-3-carboxamide
CID 76335926
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-4-phenylpyridine-3-carboxamide
CID 145956576
N-[[4-(hydroxymethyl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464422
N-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464844
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 7u
CID 44473107
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 7v
CID 44473108
Myxochelin J11
CID 118988703
Myxochelin J12
CID 118988704
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-phenylcyclohexylamino)butan-2-yl)acetamide
CID 49862830

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide (CID 59362730) is 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is JLCQABHBDPGUGR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18F2N2O3/c22-17-9-8-14(11-18(17)23)12-25-10-4-7-16(21(25)28)20(27)24-19(13-26)15-5-2-1-3-6-15/h1-11,19,26H,12-13H2,(H,24,27)/t19-/m0/s1.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).