3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

C17H21N3O3 — CID 75792605

IUPAC3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCCC2)C1c1ccncc1
InChIInChI=1S/C17H21N3O3/c1-12(21)14-15(13-4-6-18-7-5-13)20(17(23)16(14)22)11-10-19-8-2-3-9-19/h4-7,15,22H,2-3,8-11H2,1H3
InChIKeyQNGAUGWCNSCPDP-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.46
Rot. Bonds5

About 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75792605) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75792605
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCCC2)C1c1ccncc1
InChIInChI=1S/C17H21N3O3/c1-12(21)14-15(13-4-6-18-7-5-13)20(17(23)16(14)22)11-10-19-8-2-3-9-19/h4-7,15,22H,2-3,8-11H2,1H3
InChIKeyQNGAUGWCNSCPDP-UHFFFAOYSA-N
XLogP1.46
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793061
3-(cyclopropanecarbonyl)-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792757
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792669
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 75792679
methyl 4-[3-acetyl-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrol-2-yl]benzoate
CID 75792675
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75792677
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 75792703
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276602
(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 767041
3-acetyl-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792613
4-hydroxy-2-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793585
4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793671

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (CID 75792605) is 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCN2CCCC2)C1c1ccncc1.
What is the InChIKey of 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is QNGAUGWCNSCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(21)14-15(13-4-6-18-7-5-13)20(17(23)16(14)22)11-10-19-8-2-3-9-19/h4-7,15,22H,2-3,8-11H2,1H3.
What are the key properties of 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 315.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75792605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).