methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate

C24H22N2O3 — CID 67339890

IUPACmethyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C)c2)n(Cc2ccc(C)cc2C)c(=O)c1C#N
InChIInChI=1S/C24H22N2O3/c1-15-6-5-7-18(11-15)22-12-20(24(28)29-4)21(13-25)23(27)26(22)14-19-9-8-16(2)10-17(19)3/h5-12H,14H2,1-4H3
InChIKeyHBHMTBYVMJHJDF-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.15
Rot. Bonds4

About methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate

methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate (PubChem CID 67339890) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate
PubChem CID67339890
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C)c2)n(Cc2ccc(C)cc2C)c(=O)c1C#N
InChIInChI=1S/C24H22N2O3/c1-15-6-5-7-18(11-15)22-12-20(24(28)29-4)21(13-25)23(27)26(22)14-19-9-8-16(2)10-17(19)3/h5-12H,14H2,1-4H3
InChIKeyHBHMTBYVMJHJDF-UHFFFAOYSA-N
XLogP4.15
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[chloro(difluoro)methyl]-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 10126935
methyl 4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 67338946
4-[3-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethylbenzamide
CID 59726677
1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 142264542
1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(N-methylanilino)phenyl]-2-oxopyridine-3-carbonitrile
CID 142264568
1-[(2,4-dimethylphenyl)methyl]-6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340602
1-[(2,4-dimethylphenyl)methyl]-6-[3-(2-formyl-1H-indol-5-yl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 89274752
1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-[4-(4-phenylphenoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339496
ethyl 2-[4-[3-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]acetate
CID 59726341
4-[2-[(2,4-dimethylphenyl)methyl]-1-oxoisoquinolin-3-yl]benzonitrile
CID 66884651
6-[3-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]-1H-indole-2-carboxylic acid
CID 69233960
1-[(2,4-dimethylphenyl)methyl]-6-[3-[2-[ethoxy(hydroxy)methyl]-1H-indol-6-yl]phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 143195317

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate (CID 67339890) is methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate is COC(=O)c1cc(-c2cccc(C)c2)n(Cc2ccc(C)cc2C)c(=O)c1C#N.
What is the InChIKey of methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate?
The InChIKey is HBHMTBYVMJHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-6-5-7-18(11-15)22-12-20(24(28)29-4)21(13-25)23(27)26(22)14-19-9-8-16(2)10-17(19)3/h5-12H,14H2,1-4H3.
What are the key properties of methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate?
methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 67339890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).