1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one

C15H17N5O2 — CID 35560020

IUPAC1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1=O
InChIInChI=1S/C15H17N5O2/c1-18-6-3-12(11-13(18)21)14(22)19-7-9-20(10-8-19)15-16-4-2-5-17-15/h2-6,11H,7-10H2,1H3
InChIKeyUXWAGQALSAOKTR-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.14
Rot. Bonds2

About 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one

1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 35560020) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID35560020
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1=O
InChIInChI=1S/C15H17N5O2/c1-18-6-3-12(11-13(18)21)14(22)19-7-9-20(10-8-19)15-16-4-2-5-17-15/h2-6,11H,7-10H2,1H3
InChIKeyUXWAGQALSAOKTR-UHFFFAOYSA-N
XLogP0.14
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-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-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one (CID 35560020) is 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one is Cn1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is UXWAGQALSAOKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-18-6-3-12(11-13(18)21)14(22)19-7-9-20(10-8-19)15-16-4-2-5-17-15/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one?
1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 299.33 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 35560020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).