ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate

C23H23N3O6 — CID 17228737

IUPACethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C23H23N3O6/c1-4-32-23(29)21-15(3)25(16-8-6-5-7-9-16)20(27)13-18(21)22(28)24-19-11-10-17(26(30)31)12-14(19)2/h5-12,18H,4,13H2,1-3H3,(H,24,28)
InChIKeySMPNETMSAOULRQ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.73
Rot. Bonds6

About ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate

ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 17228737) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
PubChem CID17228737
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Nameethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C23H23N3O6/c1-4-32-23(29)21-15(3)25(16-8-6-5-7-9-16)20(27)13-18(21)22(28)24-19-11-10-17(26(30)31)12-14(19)2/h5-12,18H,4,13H2,1-3H3,(H,24,28)
InChIKeySMPNETMSAOULRQ-UHFFFAOYSA-N
XLogP3.73
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035891
ethyl (4S)-6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40771915
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-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158002
ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228726
ethyl 4-[(4-ethoxyphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228728
ethyl 4-[(4-acetylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17035886
N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
ethyl (4S)-1-benzyl-6-methyl-4-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158017
methyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17067536
N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118580
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate (CID 17228737) is ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is SMPNETMSAOULRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-4-32-23(29)21-15(3)25(16-8-6-5-7-9-16)20(27)13-18(21)22(28)24-19-11-10-17(26(30)31)12-14(19)2/h5-12,18H,4,13H2,1-3H3,(H,24,28).
What are the key properties of ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 17228737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).