N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 4572064

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-24-14-7-5-13(6-8-14)9-10-19-17(22)15-12-20-16-4-2-3-11-21(16)18(15)23/h2-8,11-12H,9-10H2,1H3,(H,19,22)
InChIKeyFVQDMDPHTDKQSI-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4572064) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4572064
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-24-14-7-5-13(6-8-14)9-10-19-17(22)15-12-20-16-4-2-3-11-21(16)18(15)23/h2-8,11-12H,9-10H2,1H3,(H,19,22)
InChIKeyFVQDMDPHTDKQSI-UHFFFAOYSA-N
XLogP1.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-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-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4572064) is N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(CCNC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FVQDMDPHTDKQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-14-7-5-13(6-8-14)9-10-19-17(22)15-12-20-16-4-2-3-11-21(16)18(15)23/h2-8,11-12H,9-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4572064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).