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

C13H13N3O3 — CID 121384881

IUPAC9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCCC1
InChIInChI=1S/C13H13N3O3/c17-10-4-3-7-16-11(10)14-8-9(13(16)19)12(18)15-5-1-2-6-15/h3-4,7-8,17H,1-2,5-6H2
InChIKeyYHTRVHXHNBCKBI-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.64
Rot. Bonds1

About 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384881) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID121384881
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCCC1
InChIInChI=1S/C13H13N3O3/c17-10-4-3-7-16-11(10)14-8-9(13(16)19)12(18)15-5-1-2-6-15/h3-4,7-8,17H,1-2,5-6H2
InChIKeyYHTRVHXHNBCKBI-UHFFFAOYSA-N
XLogP0.64
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 121384881) is 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1CCCC1.
What is the InChIKey of 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YHTRVHXHNBCKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-10-4-3-7-16-11(10)14-8-9(13(16)19)12(18)15-5-1-2-6-15/h3-4,7-8,17H,1-2,5-6H2.
What are the key properties of 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).