(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide

C18H22N2O2 — CID 97315292

IUPAC(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C18H22N2O2/c1-14(8-9-15-6-4-3-5-7-15)12-17(21)19-16-10-11-18(22)20(2)13-16/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyZCMKOPZHRVEION-AWEZNQCLSA-N
MW298.39 g/mol
LogP2.98
Rot. Bonds6

About (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide

(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide (PubChem CID 97315292) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide
PubChem CID97315292
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide
SMILESC[C@@H](CCc1ccccc1)CC(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C18H22N2O2/c1-14(8-9-15-6-4-3-5-7-15)12-17(21)19-16-10-11-18(22)20(2)13-16/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyZCMKOPZHRVEION-AWEZNQCLSA-N
XLogP2.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
N-(1-methyl-6-oxo-3-pyridinyl)-3,3-diphenylpropanamide
CID 75461898
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265
N-(1-methyl-6-oxo-3-pyridinyl)-2-propan-2-yloxyacetamide
CID 112686884
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
3-methyl-N-phenyl-5-phenylmethoxypentanamide
CID 175774392
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide?
The IUPAC name of (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide (CID 97315292) is (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide.
What is the SMILES notation for (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide?
The canonical SMILES for (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide is C[C@@H](CCc1ccccc1)CC(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide?
The InChIKey is ZCMKOPZHRVEION-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(8-9-15-6-4-3-5-7-15)12-17(21)19-16-10-11-18(22)20(2)13-16/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide?
(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide has a molecular weight of 298.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide is sourced from PubChem (CID 97315292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).