4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile

C16H18N2O3 — CID 163486413

IUPAC4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile
SMILESCCCOc1ccc(C2(C)CC(O)=C(C#N)C(=O)N2)cc1
InChIInChI=1S/C16H18N2O3/c1-3-8-21-12-6-4-11(5-7-12)16(2)9-14(19)13(10-17)15(20)18-16/h4-7,19H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyCIXQXGJMMOIFFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds4

About 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile

4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile (PubChem CID 163486413) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile
PubChem CID163486413
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile
SMILESCCCOc1ccc(C2(C)CC(O)=C(C#N)C(=O)N2)cc1
InChIInChI=1S/C16H18N2O3/c1-3-8-21-12-6-4-11(5-7-12)16(2)9-14(19)13(10-17)15(20)18-16/h4-7,19H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyCIXQXGJMMOIFFI-UHFFFAOYSA-N
XLogP2.55
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 118493270
(4aS)-7a-(4-butoxyphenyl)-4-chloro-2-oxo-1,4a,5,7-tetrahydrofuro[3,4-b]pyridine-3-carbonitrile
CID 160540203
(2S)-2-(4-butoxyphenyl)-2,5-dimethyl-4-(4-methylthiophen-2-yl)-1,3-dihydropyridin-6-one
CID 130206328
(2S)-2-(4-hexoxyphenyl)-2,5-dimethyl-4-(5-methylthiophen-2-yl)-1,3-dihydropyridin-6-one
CID 130206344
2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one
CID 130206330
5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
CID 104687812
3-[4-ethyl-2,5-dioxo-4-(4-propoxyphenyl)imidazolidin-1-yl]-2-methylpropanenitrile
CID 82148240
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 64734777
4-(6-methoxy-3-pyridinyl)-6-oxo-2-(trifluoromethyl)-2-[4-(5,5,5-trifluoropentoxy)phenyl]-1,3-dihydropyridine-5-carbonitrile
CID 130206869
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
4-[2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46815424

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile (CID 163486413) is 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile is CCCOc1ccc(C2(C)CC(O)=C(C#N)C(=O)N2)cc1.
What is the InChIKey of 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is CIXQXGJMMOIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-8-21-12-6-4-11(5-7-12)16(2)9-14(19)13(10-17)15(20)18-16/h4-7,19H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile?
4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 163486413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).