4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one

C18H18N2O — CID 174306167

IUPAC4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one
SMILESCc1cc(C#CC2CC2)cc(=O)n1[C@H](C)c1cccnc1
InChIInChI=1S/C18H18N2O/c1-13-10-16(8-7-15-5-6-15)11-18(21)20(13)14(2)17-4-3-9-19-12-17/h3-4,9-12,14-15H,5-6H2,1-2H3/t14-/m1/s1
InChIKeySKNWKELSHYTTOV-CQSZACIVSA-N
MW278.36 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one

4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one (PubChem CID 174306167) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one
PubChem CID174306167
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one
SMILESCc1cc(C#CC2CC2)cc(=O)n1[C@H](C)c1cccnc1
InChIInChI=1S/C18H18N2O/c1-13-10-16(8-7-15-5-6-15)11-18(21)20(13)14(2)17-4-3-9-19-12-17/h3-4,9-12,14-15H,5-6H2,1-2H3/t14-/m1/s1
InChIKeySKNWKELSHYTTOV-CQSZACIVSA-N
XLogP2.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-6-methyl-4-(pyrimidin-4-ylmethoxy)pyridin-2-one;propane
CID 164856459
1-[1-[3-(2-cyclopropylethynyl)phenyl]ethyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-6-methylpyridin-2-one
CID 167420576
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-methylpyridin-2-one
CID 164856070
1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64956135
1-[[1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N,N-dimethylmethanesulfonamide
CID 174307353
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 168686908
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
CID 126934421
6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 43661027
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one?
The IUPAC name of 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one (CID 174306167) is 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one.
What is the SMILES notation for 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one?
The canonical SMILES for 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one is Cc1cc(C#CC2CC2)cc(=O)n1[C@H](C)c1cccnc1.
What is the InChIKey of 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one?
The InChIKey is SKNWKELSHYTTOV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-10-16(8-7-15-5-6-15)11-18(21)20(13)14(2)17-4-3-9-19-12-17/h3-4,9-12,14-15H,5-6H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one?
4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one has a molecular weight of 278.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethynyl)-6-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyridin-2-one is sourced from PubChem (CID 174306167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).