N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C15H14ClFN2O3 — CID 97259860

IUPACN-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C15H14ClFN2O3/c1-8-2-4-10(14(21)18-8)15(22)19-13(7-20)9-3-5-11(16)12(17)6-9/h2-6,13,20H,7H2,1H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyMPWHFILCWYFGHC-ZDUSSCGKSA-N
MW324.74 g/mol
LogP1.94
Rot. Bonds4

About N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97259860) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97259860
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC NameN-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C15H14ClFN2O3/c1-8-2-4-10(14(21)18-8)15(22)19-13(7-20)9-3-5-11(16)12(17)6-9/h2-6,13,20H,7H2,1H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyMPWHFILCWYFGHC-ZDUSSCGKSA-N
XLogP1.94
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 97260195
N-[bis(4-hydroxyphenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464294
N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97005058
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798972
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114004919

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 97259860) is N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)c(=O)[nH]1.
What is the InChIKey of N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MPWHFILCWYFGHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-8-2-4-10(14(21)18-8)15(22)19-13(7-20)9-3-5-11(16)12(17)6-9/h2-6,13,20H,7H2,1H3,(H,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 324.74 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97259860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).