1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one

C20H23N3O3 — CID 172655296

IUPAC1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)CC1
InChIInChI=1S/C20H23N3O3/c1-14-8-12-23(15(2)16-6-4-3-5-7-16)20(26)18(14)19(25)22-11-9-17(24)21-10-13-22/h3-8,12,15H,9-11,13H2,1-2H3,(H,21,24)
InChIKeyTZNRBTRIYODJMH-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one

1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one (PubChem CID 172655296) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
PubChem CID172655296
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)CC1
InChIInChI=1S/C20H23N3O3/c1-14-8-12-23(15(2)16-6-4-3-5-7-16)20(26)18(14)19(25)22-11-9-17(24)21-10-13-22/h3-8,12,15H,9-11,13H2,1-2H3,(H,21,24)
InChIKeyTZNRBTRIYODJMH-UHFFFAOYSA-N
XLogP1.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-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-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one (CID 172655296) is 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)CC1.
What is the InChIKey of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
The InChIKey is TZNRBTRIYODJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-12-23(15(2)16-6-4-3-5-7-16)20(26)18(14)19(25)22-11-9-17(24)21-10-13-22/h3-8,12,15H,9-11,13H2,1-2H3,(H,21,24).
What are the key properties of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one has a molecular weight of 353.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 172655296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).