1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one

C17H17ClN2O3 — CID 1486001

IUPAC1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one
SMILESO=C(c1cc(Cl)c(=O)n(Cc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C17H17ClN2O3/c18-15-10-14(16(21)19-6-8-23-9-7-19)12-20(17(15)22)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyKFLKTJHKHXZHSZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.02
Rot. Bonds3

About 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one

1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one (PubChem CID 1486001) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one
PubChem CID1486001
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one
SMILESO=C(c1cc(Cl)c(=O)n(Cc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C17H17ClN2O3/c18-15-10-14(16(21)19-6-8-23-9-7-19)12-20(17(15)22)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyKFLKTJHKHXZHSZ-UHFFFAOYSA-N
XLogP2.02
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one (CID 1486001) is 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one is O=C(c1cc(Cl)c(=O)n(Cc2ccccc2)c1)N1CCOCC1.
What is the InChIKey of 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one?
The InChIKey is KFLKTJHKHXZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-15-10-14(16(21)19-6-8-23-9-7-19)12-20(17(15)22)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one?
1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one has a molecular weight of 332.79 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chloro-5-(morpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 1486001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).