6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide

C21H20N2O3 — CID 95906203

IUPAC6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c[nH]1
InChIInChI=1S/C21H20N2O3/c1-14-12-19(24)18(13-22-14)21(25)23-15(2)17-10-6-7-11-20(17)26-16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyUWQBLSRKITWTPV-OAHLLOKOSA-N
MW348.40 g/mol
LogP3.97
Rot. Bonds5

About 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 95906203) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID95906203
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c[nH]1
InChIInChI=1S/C21H20N2O3/c1-14-12-19(24)18(13-22-14)21(25)23-15(2)17-10-6-7-11-20(17)26-16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyUWQBLSRKITWTPV-OAHLLOKOSA-N
XLogP3.97
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
6-methyl-4-oxo-N-(2-phenoxybutyl)-1H-pyridine-3-carboxamide
CID 75375675
N'-[1-(2-phenoxyphenyl)ethyl]-N-phenyloxamide
CID 86878935
6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
N-[1-(2-bromophenyl)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 71849189
(2R)-5-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95324386
6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide
CID 131962645
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 71852475
N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247214
(2R)-2-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 174616193
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide (CID 95906203) is 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is UWQBLSRKITWTPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-12-19(24)18(13-22-14)21(25)23-15(2)17-10-6-7-11-20(17)26-16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95906203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).