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

C19H17N3O2 — CID 92839895

IUPAC3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18(15-13-20-17-10-4-5-11-22(17)19(15)24)21-12-6-9-16(21)14-7-2-1-3-8-14/h1-5,7-8,10-11,13,16H,6,9,12H2/t16-/m0/s1
InChIKeyPFQXZDIIDXOBSX-INIZCTEOSA-N
MW319.36 g/mol
LogP2.67
Rot. Bonds2

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

3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92839895) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92839895
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18(15-13-20-17-10-4-5-11-22(17)19(15)24)21-12-6-9-16(21)14-7-2-1-3-8-14/h1-5,7-8,10-11,13,16H,6,9,12H2/t16-/m0/s1
InChIKeyPFQXZDIIDXOBSX-INIZCTEOSA-N
XLogP2.67
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
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
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
2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 110214889
(1S,3S,8R)-9-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-3-phenyl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154821930
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 102738479
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
3-(2-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 119473481
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92626055
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 92839895) is 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PFQXZDIIDXOBSX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(15-13-20-17-10-4-5-11-22(17)19(15)24)21-12-6-9-16(21)14-7-2-1-3-8-14/h1-5,7-8,10-11,13,16H,6,9,12H2/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 319.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92839895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).