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

C19H18N4O3 — CID 166617447

IUPAC9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C19H18N4O3/c24-16-4-2-7-23-17(16)21-11-15(19(23)26)18(25)22-8-5-14(12-22)9-13-3-1-6-20-10-13/h1-4,6-7,10-11,14,24H,5,8-9,12H2
InChIKeyZOWICWBGOWAJQA-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.50
Rot. Bonds3

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

9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166617447) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID166617447
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C19H18N4O3/c24-16-4-2-7-23-17(16)21-11-15(19(23)26)18(25)22-8-5-14(12-22)9-13-3-1-6-20-10-13/h1-4,6-7,10-11,14,24H,5,8-9,12H2
InChIKeyZOWICWBGOWAJQA-UHFFFAOYSA-N
XLogP1.50
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-6-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 166619586
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
2-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 166615463
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 70782779
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124960914
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618457
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 166617447) is 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1CCC(Cc2cccnc2)C1.
What is the InChIKey of 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZOWICWBGOWAJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-16-4-2-7-23-17(16)21-11-15(19(23)26)18(25)22-8-5-14(12-22)9-13-3-1-6-20-10-13/h1-4,6-7,10-11,14,24H,5,8-9,12H2.
What are the key properties of 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166617447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).