N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H16N4O3 — CID 92701082

IUPACN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN1C[C@H](NC(=O)c2cnc3ccccn3c2=O)CC1=O
InChIInChI=1S/C15H16N4O3/c1-2-18-9-10(7-13(18)20)17-14(21)11-8-16-12-5-3-4-6-19(12)15(11)22/h3-6,8,10H,2,7,9H2,1H3,(H,17,21)/t10-/m1/s1
InChIKeyXISXNKCAQLZGCK-SNVBAGLBSA-N
MW300.32 g/mol
LogP0.05
Rot. Bonds3

About N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 92701082) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID92701082
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN1C[C@H](NC(=O)c2cnc3ccccn3c2=O)CC1=O
InChIInChI=1S/C15H16N4O3/c1-2-18-9-10(7-13(18)20)17-14(21)11-8-16-12-5-3-4-6-19(12)15(11)22/h3-6,8,10H,2,7,9H2,1H3,(H,17,21)/t10-/m1/s1
InChIKeyXISXNKCAQLZGCK-SNVBAGLBSA-N
XLogP0.05
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-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-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 92701082) is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN1C[C@H](NC(=O)c2cnc3ccccn3c2=O)CC1=O.
What is the InChIKey of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XISXNKCAQLZGCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-18-9-10(7-13(18)20)17-14(21)11-8-16-12-5-3-4-6-19(12)15(11)22/h3-6,8,10H,2,7,9H2,1H3,(H,17,21)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 92701082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).