N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H28N2O2 — CID 52539461

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2=O)c1
InChIInChI=1S/C21H28N2O2/c1-15-9-7-10-17(13-15)14-23-12-8-11-18(20(23)25)19(24)22(6)16(2)21(3,4)5/h7-13,16H,14H2,1-6H3/t16-/m0/s1
InChIKeyVJLUKMCJHVDKQU-INIZCTEOSA-N
MW340.47 g/mol
LogP3.71
Rot. Bonds4

About N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 52539461) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID52539461
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2=O)c1
InChIInChI=1S/C21H28N2O2/c1-15-9-7-10-17(13-15)14-23-12-8-11-18(20(23)25)19(24)22(6)16(2)21(3,4)5/h7-13,16H,14H2,1-6H3/t16-/m0/s1
InChIKeyVJLUKMCJHVDKQU-INIZCTEOSA-N
XLogP3.71
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
N-(2-hydroxyethyl)-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907214
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 124882650
N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598795
2,2-dimethyl-N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 5015659
2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 7296733
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86845813
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 98845887

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 52539461) is N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c2=O)c1.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VJLUKMCJHVDKQU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-9-7-10-17(13-15)14-23-12-8-11-18(20(23)25)19(24)22(6)16(2)21(3,4)5/h7-13,16H,14H2,1-6H3/t16-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 52539461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).