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

C15H16N4O3 — CID 45249319

IUPACN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN1CC(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)
InChIKeyXISXNKCAQLZGCK-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.05
Rot. Bonds3

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

N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 45249319) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID45249319
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN1CC(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)
InChIKeyXISXNKCAQLZGCK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 45249319) is N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN1CC(NC(=O)c2cnc3ccccn3c2=O)CC1=O.
What is the InChIKey of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XISXNKCAQLZGCK-UHFFFAOYSA-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).
What are the key properties of N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(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-(1-ethyl-5-oxopyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 45249319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).