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

C21H21N3O3 — CID 24675430

IUPAC3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(C2CCCN2C(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-16-10-8-15(9-11-16)18-6-5-13-23(18)20(25)17-14-22-19-7-3-4-12-24(19)21(17)26/h3-4,7-12,14,18H,2,5-6,13H2,1H3
InChIKeyRWWAMIIZZBHHPZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.07
Rot. Bonds4

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

3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24675430) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID24675430
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(C2CCCN2C(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-16-10-8-15(9-11-16)18-6-5-13-23(18)20(25)17-14-22-19-7-3-4-12-24(19)21(17)26/h3-4,7-12,14,18H,2,5-6,13H2,1H3
InChIKeyRWWAMIIZZBHHPZ-UHFFFAOYSA-N
XLogP3.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92626055
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612979
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 102738479
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 24675430) is 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCOc1ccc(C2CCCN2C(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RWWAMIIZZBHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-16-10-8-15(9-11-16)18-6-5-13-23(18)20(25)17-14-22-19-7-3-4-12-24(19)21(17)26/h3-4,7-12,14,18H,2,5-6,13H2,1H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 363.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24675430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).