1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one

C21H26N2O3 — CID 58284068

IUPAC1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n([C@@H](CC2CCCC2)C(=O)Cc2ccc(CO)cn2)c1
InChIInChI=1S/C21H26N2O3/c1-15-6-9-21(26)23(13-15)19(10-16-4-2-3-5-16)20(25)11-18-8-7-17(14-24)12-22-18/h6-9,12-13,16,19,24H,2-5,10-11,14H2,1H3/t19-/m0/s1
InChIKeyHFLJMRPQZSDZFO-IBGZPJMESA-N
MW354.45 g/mol
LogP2.98
Rot. Bonds7

About 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one

1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one (PubChem CID 58284068) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one
PubChem CID58284068
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n([C@@H](CC2CCCC2)C(=O)Cc2ccc(CO)cn2)c1
InChIInChI=1S/C21H26N2O3/c1-15-6-9-21(26)23(13-15)19(10-16-4-2-3-5-16)20(25)11-18-8-7-17(14-24)12-22-18/h6-9,12-13,16,19,24H,2-5,10-11,14H2,1H3/t19-/m0/s1
InChIKeyHFLJMRPQZSDZFO-IBGZPJMESA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-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
3-[1-cyclohexyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-6-fluoroquinazolin-4-one
CID 123725788
6-[4-cyclopentyl-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
CID 123735312
4-methyl-1-[(2S)-4-(5-methyl-2-pyridinyl)-1-(oxan-4-yl)-3-oxobutan-2-yl]pyridin-2-one
CID 58284077
(2S)-3-cyclopentyl-N-[5-(hydroxymethyl)-2-pyridinyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44629218
3-[(2S)-1-cyclopentyl-4-(5-methylpyrazin-2-yl)-3-oxobutan-2-yl]-6-(difluoromethyl)pyrimidin-4-one
CID 58284075
6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
CID 123521465
6-[4-cyclopentyl-3-(6-methyl-2,4-dioxopyrimidin-1-yl)-2-oxobutyl]pyridine-3-carboxylic acid
CID 123142326
methyl 6-[3-(6-chloro-8-methyl-4-oxoquinazolin-3-yl)-4-cyclohexyl-2-oxobutyl]pyridine-3-carboxylate
CID 123830747
1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione
CID 123519236
3-[4-(5-chloro-2-pyridinyl)-1-cyclohexyl-3-oxobutan-2-yl]-7-(2-cyclopropylacetyl)quinazolin-4-one
CID 123824341
methyl 6-[4-cyclohexyl-3-(7-methylsulfonyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxylate
CID 123347575

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one?
The IUPAC name of 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one (CID 58284068) is 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one.
What is the SMILES notation for 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one?
The canonical SMILES for 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one is Cc1ccc(=O)n([C@@H](CC2CCCC2)C(=O)Cc2ccc(CO)cn2)c1.
What is the InChIKey of 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one?
The InChIKey is HFLJMRPQZSDZFO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-9-21(26)23(13-15)19(10-16-4-2-3-5-16)20(25)11-18-8-7-17(14-24)12-22-18/h6-9,12-13,16,19,24H,2-5,10-11,14H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one?
1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-cyclopentyl-4-[5-(hydroxymethyl)-2-pyridinyl]-3-oxobutan-2-yl]-5-methylpyridin-2-one is sourced from PubChem (CID 58284068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).