methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C15H14Cl2N2O4 — CID 7357293

IUPACmethyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O4/c1-7-13(15(22)23-2)11(6-12(20)18-7)14(21)19-10-4-8(16)3-9(17)5-10/h3-5,11H,6H2,1-2H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyPMMONJPRZRHMMX-NSHDSACASA-N
MW357.19 g/mol
LogP2.52
Rot. Bonds3

About methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 7357293) has the molecular formula C15H14Cl2N2O4 and a molecular weight of 357.19 g/mol. Its IUPAC name is methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID7357293
Molecular FormulaC15H14Cl2N2O4
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC Namemethyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O4/c1-7-13(15(22)23-2)11(6-12(20)18-7)14(21)19-10-4-8(16)3-9(17)5-10/h3-5,11H,6H2,1-2H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyPMMONJPRZRHMMX-NSHDSACASA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate with MolForge

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Related Compounds

methyl (4S)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41090528
methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7263389
methyl (4R)-4-[(2-ethylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40771859
(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7247833
ethyl (4R)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7447038
ethyl (4R)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7447036
methyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17067536
methyl 6-methyl-4-[(2-methyl-5-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17354869
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 20842916
N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994705
(1R,6S)-6-[(3,5-dichlorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 896988

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 7357293) is methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is PMMONJPRZRHMMX-NSHDSACASA-N. The full InChI is InChI=1S/C15H14Cl2N2O4/c1-7-13(15(22)23-2)11(6-12(20)18-7)14(21)19-10-4-8(16)3-9(17)5-10/h3-5,11H,6H2,1-2H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 357.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 7357293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).