1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one

C19H18Cl2N2O3 — CID 91814906

IUPAC1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C19H18Cl2N2O3/c1-11-6-14(8-18(24)23(11)13-3-4-13)26-15-9-22(10-15)19(25)12-2-5-16(20)17(21)7-12/h2,5-8,13,15H,3-4,9-10H2,1H3
InChIKeyPXKUEUMTJYSXFV-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.70
Rot. Bonds4

About 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 91814906) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID91814906
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C19H18Cl2N2O3/c1-11-6-14(8-18(24)23(11)13-3-4-13)26-15-9-22(10-15)19(25)12-2-5-16(20)17(21)7-12/h2,5-8,13,15H,3-4,9-10H2,1H3
InChIKeyPXKUEUMTJYSXFV-UHFFFAOYSA-N
XLogP3.70
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156027
N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
CID 121155892
4-[1-(1-acetylpiperidine-4-carbonyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155982
1-cyclopropyl-6-methyl-4-[1-(2-pyridin-3-ylacetyl)azetidin-3-yl]oxypyridin-2-one
CID 91814917
4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155818
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121156082
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one (CID 91814906) is 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(OC2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is PXKUEUMTJYSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-11-6-14(8-18(24)23(11)13-3-4-13)26-15-9-22(10-15)19(25)12-2-5-16(20)17(21)7-12/h2,5-8,13,15H,3-4,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 393.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 91814906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).