N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C20H31N3O2 — CID 108788074

IUPACN-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCCCCCCCCCCNC(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C20H31N3O2/c1-3-4-5-6-7-8-9-11-14-21-19(25)20(2)16-18(24)22-17-13-10-12-15-23(17)20/h10,12-13,15H,3-9,11,14,16H2,1-2H3,(H,21,25)
InChIKeyWYDZVXQRQLAFAE-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.72
Rot. Bonds10

About N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108788074) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108788074
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCCCCCCCCCCNC(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C20H31N3O2/c1-3-4-5-6-7-8-9-11-14-21-19(25)20(2)16-18(24)22-17-13-10-12-15-23(17)20/h10,12-13,15H,3-9,11,14,16H2,1-2H3,(H,21,25)
InChIKeyWYDZVXQRQLAFAE-UHFFFAOYSA-N
XLogP3.72
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide 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-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108788074) is N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CCCCCCCCCCNC(=O)C1(C)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is WYDZVXQRQLAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-4-5-6-7-8-9-11-14-21-19(25)20(2)16-18(24)22-17-13-10-12-15-23(17)20/h10,12-13,15H,3-9,11,14,16H2,1-2H3,(H,21,25).
What are the key properties of N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108788074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).