2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one

C23H28N2O3 — CID 130206330

IUPAC2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one
SMILESCCCCOc1ccc(C2(C)CC(c3ccc(OC)nc3)=C(C)C(=O)N2)cc1
InChIInChI=1S/C23H28N2O3/c1-5-6-13-28-19-10-8-18(9-11-19)23(3)14-20(16(2)22(26)25-23)17-7-12-21(27-4)24-15-17/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26)
InChIKeyQYFKUSHAYWWMRW-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.48
Rot. Bonds7

About 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one

2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 130206330) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one
PubChem CID130206330
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one
SMILESCCCCOc1ccc(C2(C)CC(c3ccc(OC)nc3)=C(C)C(=O)N2)cc1
InChIInChI=1S/C23H28N2O3/c1-5-6-13-28-19-10-8-18(9-11-19)23(3)14-20(16(2)22(26)25-23)17-7-12-21(27-4)24-15-17/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26)
InChIKeyQYFKUSHAYWWMRW-UHFFFAOYSA-N
XLogP4.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one 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

N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide
CID 131971965
(2S)-2-(4-hexoxyphenyl)-2,5-dimethyl-4-(5-methylthiophen-2-yl)-1,3-dihydropyridin-6-one
CID 130206344
(2S)-2-(4-butoxyphenyl)-2,5-dimethyl-4-(4-methylthiophen-2-yl)-1,3-dihydropyridin-6-one
CID 130206328
4-(6-methoxy-3-pyridinyl)-6-oxo-2-(trifluoromethyl)-2-[4-(5,5,5-trifluoropentoxy)phenyl]-1,3-dihydropyridine-5-carbonitrile
CID 130206869
(2S)-2-(4-butoxyphenyl)-4-(1-cyclobutylpyrazol-4-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
CID 130444525
4-hydroxy-2-methyl-6-oxo-2-(4-propoxyphenyl)-1,3-dihydropyridine-5-carbonitrile
CID 163486413
2-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-3-yl)-2-methyl-5-(1H-1,2,4-triazol-5-yl)-1,3-dihydropyridin-6-one
CID 130444459
1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
CID 121277753
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
(2S)-N-(benzenesulfonyl)-2-methyl-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-dihydropyridine-5-carboxamide
CID 131975267
(2S)-2-(4-butoxy-2-fluorophenyl)-4-[4-(difluoromethyl)phenyl]-2-methyl-5-(5-oxo-1H-tetrazol-4-yl)-1,3-dihydropyridin-6-one
CID 137102380

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one (CID 130206330) is 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one is CCCCOc1ccc(C2(C)CC(c3ccc(OC)nc3)=C(C)C(=O)N2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?
The InChIKey is QYFKUSHAYWWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-6-13-28-19-10-8-18(9-11-19)23(3)14-20(16(2)22(26)25-23)17-7-12-21(27-4)24-15-17/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26).
What are the key properties of 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one?
2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 380.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 130206330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).