N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide

C23H23N3O2 — CID 1078828

IUPACN-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C23H23N3O2/c1-16-10-9-11-17(2)20(16)25-22(27)21(18-12-5-4-6-13-18)26(3)23(28)19-14-7-8-15-24-19/h4-15,21H,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyIEGVCSINSHIKNC-OAQYLSRUSA-N
MW373.46 g/mol
LogP4.15
Rot. Bonds5

About N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide

N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide (PubChem CID 1078828) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
PubChem CID1078828
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C23H23N3O2/c1-16-10-9-11-17(2)20(16)25-22(27)21(18-12-5-4-6-13-18)26(3)23(28)19-14-7-8-15-24-19/h4-15,21H,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyIEGVCSINSHIKNC-OAQYLSRUSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
CID 3415360
N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 7044138
N-[(1S)-2-(2,6-dimethylanilino)-1-(3-nitrophenyl)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 1104140
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
tert-butyl N-[1-[[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18043593
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 1078846
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-(dimethylcarbamoyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 71569381
N-(2-oxo-1,2-diphenylethyl)-N-phenylpyridine-2-carboxamide
CID 3847291
N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide
CID 3102026
tert-butyl N-[2-[[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-(2-methylbutan-2-yl)amino]-2-oxoethyl]carbamate
CID 18019368

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide (CID 1078828) is N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccn1.
What is the InChIKey of N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is IEGVCSINSHIKNC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-10-9-11-17(2)20(16)25-22(27)21(18-12-5-4-6-13-18)26(3)23(28)19-14-7-8-15-24-19/h4-15,21H,1-3H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide?
N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 1078828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).