N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C20H26N2O3 — CID 95633524

IUPACN-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C20H26N2O3/c1-5-14(3)20(4,25)12-21-18(23)16-9-10-17(22-19(16)24)15-8-6-7-13(2)11-15/h6-11,14,25H,5,12H2,1-4H3,(H,21,23)(H,22,24)/t14-,20-/m0/s1
InChIKeyBPLPDVYYSYEUAD-XOBRGWDASA-N
MW342.44 g/mol
LogP2.88
Rot. Bonds6

About N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95633524) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95633524
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C20H26N2O3/c1-5-14(3)20(4,25)12-21-18(23)16-9-10-17(22-19(16)24)15-8-6-7-13(2)11-15/h6-11,14,25H,5,12H2,1-4H3,(H,21,23)(H,22,24)/t14-,20-/m0/s1
InChIKeyBPLPDVYYSYEUAD-XOBRGWDASA-N
XLogP2.88
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71685809
N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55793926
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111483420
N-(2-hydroxy-2,3-dimethylpentyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111477834
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
N-[1-(4-methoxyphenyl)propyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55756377
N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705
N-[1-(1-benzofuran-2-yl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757137
N'-(4-ethoxybenzoyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbohydrazide
CID 55786733
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 55850238

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 95633524) is N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O.
What is the InChIKey of N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BPLPDVYYSYEUAD-XOBRGWDASA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-14(3)20(4,25)12-21-18(23)16-9-10-17(22-19(16)24)15-8-6-7-13(2)11-15/h6-11,14,25H,5,12H2,1-4H3,(H,21,23)(H,22,24)/t14-,20-/m0/s1.
What are the key properties of N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95633524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).