5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one

C16H17ClN2O — CID 60932166

IUPAC5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one
SMILESCn1cc(NC2CC(c3ccc(Cl)cc3)C2)ccc1=O
InChIInChI=1S/C16H17ClN2O/c1-19-10-14(6-7-16(19)20)18-15-8-12(9-15)11-2-4-13(17)5-3-11/h2-7,10,12,15,18H,8-9H2,1H3
InChIKeyBZSGSCZCTCQSKX-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.40
Rot. Bonds3

About 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one

5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one (PubChem CID 60932166) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one
PubChem CID60932166
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one
SMILESCn1cc(NC2CC(c3ccc(Cl)cc3)C2)ccc1=O
InChIInChI=1S/C16H17ClN2O/c1-19-10-14(6-7-16(19)20)18-15-8-12(9-15)11-2-4-13(17)5-3-11/h2-7,10,12,15,18H,8-9H2,1H3
InChIKeyBZSGSCZCTCQSKX-UHFFFAOYSA-N
XLogP3.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one (CID 60932166) is 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one is Cn1cc(NC2CC(c3ccc(Cl)cc3)C2)ccc1=O.
What is the InChIKey of 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one?
The InChIKey is BZSGSCZCTCQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19-10-14(6-7-16(19)20)18-15-8-12(9-15)11-2-4-13(17)5-3-11/h2-7,10,12,15,18H,8-9H2,1H3.
What are the key properties of 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one?
5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one has a molecular weight of 288.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 60932166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).