3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H22N4O2 — CID 50962398

IUPAC3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CC)C1CCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-3-19(4-2)13-8-10-20(12-13)16(22)14-11-18-15-7-5-6-9-21(15)17(14)23/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3
InChIKeyOAKGVZBQOLKWGN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.25
Rot. Bonds4

About 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 50962398) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID50962398
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CC)C1CCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-3-19(4-2)13-8-10-20(12-13)16(22)14-11-18-15-7-5-6-9-21(15)17(14)23/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3
InChIKeyOAKGVZBQOLKWGN-UHFFFAOYSA-N
XLogP1.25
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one 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 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 50962398) is 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCN(CC)C1CCN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OAKGVZBQOLKWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-19(4-2)13-8-10-20(12-13)16(22)14-11-18-15-7-5-6-9-21(15)17(14)23/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50962398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).