1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one

C17H20N2O — CID 60931916

IUPAC1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one
SMILESCc1ccc(C2CC(Nc3ccc(=O)n(C)c3)C2)cc1
InChIInChI=1S/C17H20N2O/c1-12-3-5-13(6-4-12)14-9-16(10-14)18-15-7-8-17(20)19(2)11-15/h3-8,11,14,16,18H,9-10H2,1-2H3
InChIKeyHNLCNXFILBKETF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.05
Rot. Bonds3

About 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one

1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one (PubChem CID 60931916) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one
PubChem CID60931916
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one
SMILESCc1ccc(C2CC(Nc3ccc(=O)n(C)c3)C2)cc1
InChIInChI=1S/C17H20N2O/c1-12-3-5-13(6-4-12)14-9-16(10-14)18-15-7-8-17(20)19(2)11-15/h3-8,11,14,16,18H,9-10H2,1-2H3
InChIKeyHNLCNXFILBKETF-UHFFFAOYSA-N
XLogP3.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one (CID 60931916) is 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one is Cc1ccc(C2CC(Nc3ccc(=O)n(C)c3)C2)cc1.
What is the InChIKey of 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one?
The InChIKey is HNLCNXFILBKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-5-13(6-4-12)14-9-16(10-14)18-15-7-8-17(20)19(2)11-15/h3-8,11,14,16,18H,9-10H2,1-2H3.
What are the key properties of 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one?
1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[3-(4-methylphenyl)cyclobutyl]amino]pyridin-2-one is sourced from PubChem (CID 60931916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).