N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide

C18H16N4O2 — CID 121064221

IUPACN-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1cnccc1=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N4O2/c23-17-9-11-19-14-21(17)13-18(24)22(16-8-4-5-10-20-16)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2
InChIKeyAEBBWHSXYFWSDD-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.87
Rot. Bonds5

About N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide

N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide (PubChem CID 121064221) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
PubChem CID121064221
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1cnccc1=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N4O2/c23-17-9-11-19-14-21(17)13-18(24)22(16-8-4-5-10-20-16)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2
InChIKeyAEBBWHSXYFWSDD-UHFFFAOYSA-N
XLogP1.87
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide 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 N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide (CID 121064221) is N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide is O=C(Cn1cnccc1=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide?
The InChIKey is AEBBWHSXYFWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-9-11-19-14-21(17)13-18(24)22(16-8-4-5-10-20-16)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2.
What are the key properties of N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide?
N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide has a molecular weight of 320.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 121064221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).