1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide

C18H22N2O2 — CID 95301985

IUPAC1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(18(2,3)15-8-6-5-7-9-15)19-17(22)14-10-11-20(4)16(21)12-14/h5-13H,1-4H3,(H,19,22)/t13-/m1/s1
InChIKeyUBQTZDPJFXKOAW-CYBMUJFWSA-N
MW298.39 g/mol
LogP2.48
Rot. Bonds4

About 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide

1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide (PubChem CID 95301985) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide
PubChem CID95301985
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13(18(2,3)15-8-6-5-7-9-15)19-17(22)14-10-11-20(4)16(21)12-14/h5-13H,1-4H3,(H,19,22)/t13-/m1/s1
InChIKeyUBQTZDPJFXKOAW-CYBMUJFWSA-N
XLogP2.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 43357855
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001499
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 97313597
(3S)-3-(2-chlorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 94022754
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide (CID 95301985) is 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide is C[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide?
The InChIKey is UBQTZDPJFXKOAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(18(2,3)15-8-6-5-7-9-15)19-17(22)14-10-11-20(4)16(21)12-14/h5-13H,1-4H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 95301985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).