4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one

C22H18N2O3 — CID 108591725

IUPAC4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)C1c1cccnc1
InChIInChI=1S/C22H18N2O3/c1-2-18(25)19-20(15-9-6-12-23-13-15)24(22(27)21(19)26)17-11-5-8-14-7-3-4-10-16(14)17/h3-13,20,26H,2H2,1H3
InChIKeyWODXQBHWSDGJRN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.11
Rot. Bonds4

About 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one

4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108591725) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108591725
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)C1c1cccnc1
InChIInChI=1S/C22H18N2O3/c1-2-18(25)19-20(15-9-6-12-23-13-15)24(22(27)21(19)26)17-11-5-8-14-7-3-4-10-16(14)17/h3-13,20,26H,2H2,1H3
InChIKeyWODXQBHWSDGJRN-UHFFFAOYSA-N
XLogP4.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630627
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592594
4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632810
4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629325
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-naphthalen-1-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591710
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-naphthalen-1-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591726
(4E)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-1-naphthalen-1-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591693
1-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108724768
1-(4-ethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629256
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630457
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591468
(4E)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-1-naphthalen-1-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591695

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108591725) is 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)C1c1cccnc1.
What is the InChIKey of 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is WODXQBHWSDGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-18(25)19-20(15-9-6-12-23-13-15)24(22(27)21(19)26)17-11-5-8-14-7-3-4-10-16(14)17/h3-13,20,26H,2H2,1H3.
What are the key properties of 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 358.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108591725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).