2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C19H20N4O3 — CID 47089352

IUPAC2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccccc2OCC(=O)N2CCCC2)Nc2ncccc21
InChIInChI=1S/C19H20N4O3/c24-16(23-10-3-4-11-23)12-26-15-8-2-1-6-13(15)18-21-17-14(19(25)22-18)7-5-9-20-17/h1-2,5-9,18H,3-4,10-12H2,(H,20,21)(H,22,25)
InChIKeyDRDNIWRPBUFLIL-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 47089352) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID47089352
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC(c2ccccc2OCC(=O)N2CCCC2)Nc2ncccc21
InChIInChI=1S/C19H20N4O3/c24-16(23-10-3-4-11-23)12-26-15-8-2-1-6-13(15)18-21-17-14(19(25)22-18)7-5-9-20-17/h1-2,5-9,18H,3-4,10-12H2,(H,20,21)(H,22,25)
InChIKeyDRDNIWRPBUFLIL-UHFFFAOYSA-N
XLogP1.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
(2S)-3-[[(2R)-oxolan-2-yl]methyl]-2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 40973720
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 100706177
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
2-[2-[(4S)-2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 136791706
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 47089352) is 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC(c2ccccc2OCC(=O)N2CCCC2)Nc2ncccc21.
What is the InChIKey of 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DRDNIWRPBUFLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-16(23-10-3-4-11-23)12-26-15-8-2-1-6-13(15)18-21-17-14(19(25)22-18)7-5-9-20-17/h1-2,5-9,18H,3-4,10-12H2,(H,20,21)(H,22,25).
What are the key properties of 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 352.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47089352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).