ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate

C25H28N2O4 — CID 29158002

IUPACethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C25H28N2O4/c1-6-31-25(30)23-18(5)27(19-11-8-15(2)9-12-19)22(28)14-20(23)24(29)26-21-13-16(3)7-10-17(21)4/h7-13,20H,6,14H2,1-5H3,(H,26,29)/t20-/m1/s1
InChIKeySVEVXDDZDIXFOM-HXUWFJFHSA-N
MW420.51 g/mol
LogP4.44
Rot. Bonds5

About ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 29158002) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID29158002
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Nameethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C25H28N2O4/c1-6-31-25(30)23-18(5)27(19-11-8-15(2)9-12-19)22(28)14-20(23)24(29)26-21-13-16(3)7-10-17(21)4/h7-13,20H,6,14H2,1-5H3,(H,26,29)/t20-/m1/s1
InChIKeySVEVXDDZDIXFOM-HXUWFJFHSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101565
ethyl (4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29157978
ethyl 4-[(2-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035891
ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228737
ethyl (4R)-4-[(4-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101527
ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228726
ethyl 4-[(4-acetylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035886
ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228728
ethyl (4S)-1-benzyl-6-methyl-4-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158017
ethyl (4R)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7447038
ethyl 5-methyl-1-(4-methylphenyl)-2-oxo-3H-pyrrole-4-carboxylate
CID 744933
ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158024

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 29158002) is ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is SVEVXDDZDIXFOM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-6-31-25(30)23-18(5)27(19-11-8-15(2)9-12-19)22(28)14-20(23)24(29)26-21-13-16(3)7-10-17(21)4/h7-13,20H,6,14H2,1-5H3,(H,26,29)/t20-/m1/s1.
What are the key properties of ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 29158002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).