N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide

C19H24N2O2 — CID 99826380

IUPACN-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]cc1C(=O)NC[C@@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)16(10-15-7-5-4-6-8-15)11-21-19(23)17-12-20-18(22)9-14(17)3/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyPSNKRYMRDFRBBL-MRXNPFEDSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds6

About N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 99826380) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID99826380
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]cc1C(=O)NC[C@@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)16(10-15-7-5-4-6-8-15)11-21-19(23)17-12-20-18(22)9-14(17)3/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyPSNKRYMRDFRBBL-MRXNPFEDSA-N
XLogP2.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(methylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 120831839
4-methyl-6-oxo-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129002182
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 97067444
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103819928
(2-benzyl-3-methylbutyl)benzene
CID 22277918
(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129429272
(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 120615362
N-(2-amino-2-phenylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806521
N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
CID 119045232

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 99826380) is N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](Cc1ccccc1)C(C)C.
What is the InChIKey of N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PSNKRYMRDFRBBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)16(10-15-7-5-4-6-8-15)11-21-19(23)17-12-20-18(22)9-14(17)3/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-benzyl-3-methylbutyl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 99826380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).