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

C13H13N3O2 — CID 42893218

IUPAC3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCC1
InChIInChI=1S/C13H13N3O2/c17-12(15-6-3-4-7-15)10-9-14-11-5-1-2-8-16(11)13(10)18/h1-2,5,8-9H,3-4,6-7H2
InChIKeyHNJJPLDEGWMERW-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.93
Rot. Bonds1

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

3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42893218) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID42893218
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCC1
InChIInChI=1S/C13H13N3O2/c17-12(15-6-3-4-7-15)10-9-14-11-5-1-2-8-16(11)13(10)18/h1-2,5,8-9H,3-4,6-7H2
InChIKeyHNJJPLDEGWMERW-UHFFFAOYSA-N
XLogP0.93
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 42893218) is 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCCC1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HNJJPLDEGWMERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12(15-6-3-4-7-15)10-9-14-11-5-1-2-8-16(11)13(10)18/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42893218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).