2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C26H30ClNO3 — CID 42854923

IUPAC2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCC1=C(C(=O)OCC(C)C)C(c2cc(C)ccc2C)CC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C26H30ClNO3/c1-16(2)15-31-26(30)25-19(5)28(14-20-7-6-8-21(27)12-20)24(29)13-23(25)22-11-17(3)9-10-18(22)4/h6-12,16,23H,13-15H2,1-5H3
InChIKeyLUOHAEOHEINLJR-UHFFFAOYSA-N
MW439.98 g/mol
LogP5.95
Rot. Bonds6

About 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854923) has the molecular formula C26H30ClNO3 and a molecular weight of 439.98 g/mol. Its IUPAC name is 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42854923
Molecular FormulaC26H30ClNO3
Molecular Weight439.98 g/mol
Exact Mass439.19
IUPAC Name2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCC1=C(C(=O)OCC(C)C)C(c2cc(C)ccc2C)CC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C26H30ClNO3/c1-16(2)15-31-26(30)25-19(5)28(14-20-7-6-8-21(27)12-20)24(29)13-23(25)22-11-17(3)9-10-18(22)4/h6-12,16,23H,13-15H2,1-5H3
InChIKeyLUOHAEOHEINLJR-UHFFFAOYSA-N
XLogP5.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.98
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate with MolForge

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Related Compounds

2-methylpropyl (4R)-1-[(3-chlorophenyl)methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 93291411
2-methylpropyl 4-(2-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049453
prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854673
propan-2-yl 4-(2-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049396
2-methylpropyl 1-[(3,5-difluorophenyl)methyl]-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42854411
2-methylpropyl 1-[(3-cyanophenyl)methyl]-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854375
2-methylpropyl 1-[(3-fluorophenyl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854877
ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049343
2-methylpropyl 1-[(3,4-difluorophenyl)methyl]-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854894
2-methylpropyl (4R)-4-(2,4-difluorophenyl)-1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331695
ethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 42761203
prop-2-enyl 4-(3-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854679

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42854923) is 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CC1=C(C(=O)OCC(C)C)C(c2cc(C)ccc2C)CC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is LUOHAEOHEINLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClNO3/c1-16(2)15-31-26(30)25-19(5)28(14-20-7-6-8-21(27)12-20)24(29)13-23(25)22-11-17(3)9-10-18(22)4/h6-12,16,23H,13-15H2,1-5H3.
What are the key properties of 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 439.98 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-[(3-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).