N-methyl-3-(2-oxopyrimidin-1-yl)propanamide

C8H11N3O2 — CID 116618411

IUPACN-methyl-3-(2-oxopyrimidin-1-yl)propanamide
SMILESCNC(=O)CCn1cccnc1=O
InChIInChI=1S/C8H11N3O2/c1-9-7(12)3-6-11-5-2-4-10-8(11)13/h2,4-5H,3,6H2,1H3,(H,9,12)
InChIKeyWQNWAUPCYADNKF-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.62
Rot. Bonds3

About N-methyl-3-(2-oxopyrimidin-1-yl)propanamide

N-methyl-3-(2-oxopyrimidin-1-yl)propanamide (PubChem CID 116618411) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-methyl-3-(2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxopyrimidin-1-yl)propanamide
PubChem CID116618411
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-methyl-3-(2-oxopyrimidin-1-yl)propanamide
SMILESCNC(=O)CCn1cccnc1=O
InChIInChI=1S/C8H11N3O2/c1-9-7(12)3-6-11-5-2-4-10-8(11)13/h2,4-5H,3,6H2,1H3,(H,9,12)
InChIKeyWQNWAUPCYADNKF-UHFFFAOYSA-N
XLogP-0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(2-oxopyrimidin-1-yl)propanamide 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-methyl-3-(2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-methyl-3-(2-oxopyrimidin-1-yl)propanamide (CID 116618411) is N-methyl-3-(2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxopyrimidin-1-yl)propanamide is CNC(=O)CCn1cccnc1=O.
What is the InChIKey of N-methyl-3-(2-oxopyrimidin-1-yl)propanamide?
The InChIKey is WQNWAUPCYADNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-9-7(12)3-6-11-5-2-4-10-8(11)13/h2,4-5H,3,6H2,1H3,(H,9,12).
What are the key properties of N-methyl-3-(2-oxopyrimidin-1-yl)propanamide?
N-methyl-3-(2-oxopyrimidin-1-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 116618411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).