5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide

C23H22BrClN2O2 — CID 21289430

IUPAC5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c(Br)c1=O
InChIInChI=1S/C23H22BrClN2O2/c1-13-7-5-8-14(2)21(13)26-23(29)19-15(3)27(16(4)20(24)22(19)28)12-17-9-6-10-18(25)11-17/h5-11H,12H2,1-4H3,(H,26,29)
InChIKeyBHWMOQFQFRFEHN-UHFFFAOYSA-N
MW473.80 g/mol
LogP5.80
Rot. Bonds4

About 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide

5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 21289430) has the molecular formula C23H22BrClN2O2 and a molecular weight of 473.80 g/mol. Its IUPAC name is 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID21289430
Molecular FormulaC23H22BrClN2O2
Molecular Weight473.80 g/mol
Exact Mass472.06
IUPAC Name5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c(Br)c1=O
InChIInChI=1S/C23H22BrClN2O2/c1-13-7-5-8-14(2)21(13)26-23(29)19-15(3)27(16(4)20(24)22(19)28)12-17-9-6-10-18(25)11-17/h5-11H,12H2,1-4H3,(H,26,29)
InChIKeyBHWMOQFQFRFEHN-UHFFFAOYSA-N
XLogP5.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.80
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289457
5-bromo-N-(2-ethyl-6-methylphenyl)-1-(2-ethylsulfanylethyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289454
1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289330
5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289438
5-bromo-N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethyl-4-oxo-1-(4-phenylbutyl)pyridine-3-carboxamide
CID 21289460
1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040375
4-[[(3-bromophenyl)methylamino]methyl]-1-[(3-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20957708
1-[(3-chlorophenyl)methyl]-4-[[(4-chlorophenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20957688
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzamide
CID 19396090
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525621
4-[[(3-chlorophenyl)methylamino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid
CID 20891378
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-[[(5-methylfuran-2-yl)methylamino]methyl]pyrrole-3-carboxylic acid
CID 20891726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 21289430) is 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is BHWMOQFQFRFEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN2O2/c1-13-7-5-8-14(2)21(13)26-23(29)19-15(3)27(16(4)20(24)22(19)28)12-17-9-6-10-18(25)11-17/h5-11H,12H2,1-4H3,(H,26,29).
What are the key properties of 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 473.80 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 21289430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).