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

C19H25N3O3 — CID 75793061

IUPAC4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CCN2CCCC2)C1c1ccncc1
InChIInChI=1S/C19H25N3O3/c1-13(2)17(23)15-16(14-5-7-20-8-6-14)22(19(25)18(15)24)12-11-21-9-3-4-10-21/h5-8,13,16,24H,3-4,9-12H2,1-2H3
InChIKeyUBLMZSJGWHZFBQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.10
Rot. Bonds6

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

4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75793061) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75793061
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CCN2CCCC2)C1c1ccncc1
InChIInChI=1S/C19H25N3O3/c1-13(2)17(23)15-16(14-5-7-20-8-6-14)22(19(25)18(15)24)12-11-21-9-3-4-10-21/h5-8,13,16,24H,3-4,9-12H2,1-2H3
InChIKeyUBLMZSJGWHZFBQ-UHFFFAOYSA-N
XLogP2.10
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792605
3-(cyclopropanecarbonyl)-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792757
4-hydroxy-3-(2-methylpropanoyl)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635042
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793248
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108634366
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 75792679
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792669
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
methyl 4-[3-acetyl-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrol-2-yl]benzoate
CID 75792675
2-(3,4-dichlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108695407
3-acetyl-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792613
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108640409

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (CID 75793061) is 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(CCN2CCCC2)C1c1ccncc1.
What is the InChIKey of 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is UBLMZSJGWHZFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)17(23)15-16(14-5-7-20-8-6-14)22(19(25)18(15)24)12-11-21-9-3-4-10-21/h5-8,13,16,24H,3-4,9-12H2,1-2H3.
What are the key properties of 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 343.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).