4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one

C21H26N2O3 — CID 58284077

IUPAC4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
SMILESCc1ccc(CC(=O)[C@H](CC2CCOCC2)n2ccc(C)cc2=O)nc1
InChIInChI=1S/C21H26N2O3/c1-15-5-8-23(21(25)11-15)19(12-17-6-9-26-10-7-17)20(24)13-18-4-3-16(2)14-22-18/h3-5,8,11,14,17,19H,6-7,9-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyYMFJQZNEVNUPLQ-IBGZPJMESA-N
MW354.45 g/mol
LogP3.03
Rot. Bonds6

About 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one

4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one (PubChem CID 58284077) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
PubChem CID58284077
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
SMILESCc1ccc(CC(=O)[C@H](CC2CCOCC2)n2ccc(C)cc2=O)nc1
InChIInChI=1S/C21H26N2O3/c1-15-5-8-23(21(25)11-15)19(12-17-6-9-26-10-7-17)20(24)13-18-4-3-16(2)14-22-18/h3-5,8,11,14,17,19H,6-7,9-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyYMFJQZNEVNUPLQ-IBGZPJMESA-N
XLogP3.03
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyridinyl)-3-oxobutan-2-yl]-6-methylpyrimidin-4-one
CID 58284079
1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one
CID 58284068
7-(2-cyclopropylacetyl)-3-[4-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]quinazolin-4-one
CID 123173973
3-[(2S)-1-cyclopentyl-4-(5-methylpyrazin-2-yl)-3-oxobutan-2-yl]-6-(difluoromethyl)pyrimidin-4-one
CID 58284075
7-cyclopentylsulfonyl-3-[4-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]quinazolin-4-one
CID 123234551
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide
CID 46864692
3-[4-(5-chloro-1,3-thiazol-2-yl)-1-(oxan-4-yl)-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123810344
3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-one
CID 66448497
(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757
methyl 6-[3-(6-chloro-8-methyl-4-oxoquinazolin-3-yl)-4-cyclohexyl-2-oxobutyl]pyridine-3-carboxylate
CID 123830747
6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
CID 123142326
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 46181747

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one (CID 58284077) is 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one is Cc1ccc(CC(=O)[C@H](CC2CCOCC2)n2ccc(C)cc2=O)nc1.
What is the InChIKey of 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one?
The InChIKey is YMFJQZNEVNUPLQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-8-23(21(25)11-15)19(12-17-6-9-26-10-7-17)20(24)13-18-4-3-16(2)14-22-18/h3-5,8,11,14,17,19H,6-7,9-10,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one?
4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one is sourced from PubChem (CID 58284077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).