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

C22H21BrN2O4 — CID 17228726

IUPACethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O4/c1-3-29-22(28)20-14(2)25(17-7-5-4-6-8-17)19(26)13-18(20)21(27)24-16-11-9-15(23)10-12-16/h4-12,18H,3,13H2,1-2H3,(H,24,27)
InChIKeyUTARXOVCVVXLFB-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.28
Rot. Bonds5

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

ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 17228726) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
PubChem CID17228726
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Nameethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O4/c1-3-29-22(28)20-14(2)25(17-7-5-4-6-8-17)19(26)13-18(20)21(27)24-16-11-9-15(23)10-12-16/h4-12,18H,3,13H2,1-2H3,(H,24,27)
InChIKeyUTARXOVCVVXLFB-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R)-4-[(4-ethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101527
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
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 (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 29101565
ethyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate
CID 17228737
ethyl (4R)-4-[(2,5-dimethylphenyl)carbamoyl]-6-methyl-1-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158002
ethyl (6S)-6-(4-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 1363356
ethyl (4S)-1-benzyl-6-methyl-4-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158017
ethyl (4R)-1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 29158024
ethyl 1-benzyl-4-[(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 17035910

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate (CID 17228726) is ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is UTARXOVCVVXLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-3-29-22(28)20-14(2)25(17-7-5-4-6-8-17)19(26)13-18(20)21(27)24-16-11-9-15(23)10-12-16/h4-12,18H,3,13H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate?
ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 457.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-1-phenyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 17228726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).