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

C13H13N3O3 — CID 55132503

IUPAC3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(O)C1
InChIInChI=1S/C13H13N3O3/c17-9-4-6-15(8-9)12(18)10-7-14-11-3-1-2-5-16(11)13(10)19/h1-3,5,7,9,17H,4,6,8H2
InChIKeyGNYCDVFWLWJZRI-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.10
Rot. Bonds1

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

3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55132503) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID55132503
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(O)C1
InChIInChI=1S/C13H13N3O3/c17-9-4-6-15(8-9)12(18)10-7-14-11-3-1-2-5-16(11)13(10)19/h1-3,5,7,9,17H,4,6,8H2
InChIKeyGNYCDVFWLWJZRI-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 64197129
9-Hydroxy-3-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 121384881
3-[[2-Hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899747
3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900049
3-(Pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42893218
3-(3-Hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 43415912
3-(4-Hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 43416124
N-(2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43418276
N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 43573449
N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43576598
2-[(3-Hydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55130778

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 55132503) is 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GNYCDVFWLWJZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-9-4-6-15(8-9)12(18)10-7-14-11-3-1-2-5-16(11)13(10)19/h1-3,5,7,9,17H,4,6,8H2.
What are the key properties of 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.26 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55132503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).