5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide

C23H20Cl2N2O3 — CID 162715923

IUPAC5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)c(C)n(-c2ccc(Cl)cc2C)c1=O
InChIInChI=1S/C23H20Cl2N2O3/c1-12-9-16(24)5-7-20(12)26-22(29)18-11-19(15(4)28)23(30)27(14(18)3)21-8-6-17(25)10-13(21)2/h5-11H,1-4H3,(H,26,29)
InChIKeyCEQMEQNZJOTUNL-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.52
Rot. Bonds4

About 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide

5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide (PubChem CID 162715923) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
PubChem CID162715923
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)c(C)n(-c2ccc(Cl)cc2C)c1=O
InChIInChI=1S/C23H20Cl2N2O3/c1-12-9-16(24)5-7-20(12)26-22(29)18-11-19(15(4)28)23(30)27(14(18)3)21-8-6-17(25)10-13(21)2/h5-11H,1-4H3,(H,26,29)
InChIKeyCEQMEQNZJOTUNL-UHFFFAOYSA-N
XLogP5.52
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
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CID 110681056
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
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5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
CID 5387463
N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8569599
6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373700
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide (CID 162715923) is 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide is CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)c(C)n(-c2ccc(Cl)cc2C)c1=O.
What is the InChIKey of 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is CEQMEQNZJOTUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-12-9-16(24)5-7-20(12)26-22(29)18-11-19(15(4)28)23(30)27(14(18)3)21-8-6-17(25)10-13(21)2/h5-11H,1-4H3,(H,26,29).
What are the key properties of 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 162715923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).