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

C23H23ClN2O4 — CID 29158024

IUPACethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H23ClN2O4/c1-3-30-23(29)21-15(2)26(14-16-9-5-4-6-10-16)20(27)13-17(21)22(28)25-19-12-8-7-11-18(19)24/h4-12,17H,3,13-14H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyKVHKVIMYGMTOCX-QGZVFWFLSA-N
MW426.90 g/mol
LogP4.16
Rot. Bonds6

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

ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 29158024) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID29158024
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Nameethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H23ClN2O4/c1-3-30-23(29)21-15(2)26(14-16-9-5-4-6-10-16)20(27)13-17(21)22(28)25-19-12-8-7-11-18(19)24/h4-12,17H,3,13-14H2,1-2H3,(H,25,28)/t17-/m1/s1
InChIKeyKVHKVIMYGMTOCX-QGZVFWFLSA-N
XLogP4.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 17035910
ethyl (4S)-1-benzyl-6-methyl-4-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158017
ethyl 4-[(2-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035891
ethyl (4R)-4-[(4-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101527
ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101565
ethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 42761203
ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228726
ethyl 4-(2-chlorophenyl)-1-[[3-(1,2-diphenylethylcarbamoyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3622711
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 (4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29157978
ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 2784616

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 29158024) is ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccccc1Cl.
What is the InChIKey of ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is KVHKVIMYGMTOCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-3-30-23(29)21-15(2)26(14-16-9-5-4-6-10-16)20(27)13-17(21)22(28)25-19-12-8-7-11-18(19)24/h4-12,17H,3,13-14H2,1-2H3,(H,25,28)/t17-/m1/s1.
What are the key properties of ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 426.90 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 29158024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).