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

C25H26Cl2N2O2 — CID 21289457

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c(Cl)c1=O
InChIInChI=1S/C25H26Cl2N2O2/c1-5-18-10-8-11-19(6-2)23(18)28-25(31)21-15(3)29(16(4)22(27)24(21)30)14-17-9-7-12-20(26)13-17/h7-13H,5-6,14H2,1-4H3,(H,28,31)
InChIKeyVDLPKDZDFULSNV-UHFFFAOYSA-N
MW457.40 g/mol
LogP6.20
Rot. Bonds6

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

5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 21289457) has the molecular formula C25H26Cl2N2O2 and a molecular weight of 457.40 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID21289457
Molecular FormulaC25H26Cl2N2O2
Molecular Weight457.40 g/mol
Exact Mass456.14
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c(Cl)c1=O
InChIInChI=1S/C25H26Cl2N2O2/c1-5-18-10-8-11-19(6-2)23(18)28-25(31)21-15(3)29(16(4)22(27)24(21)30)14-17-9-7-12-20(26)13-17/h7-13H,5-6,14H2,1-4H3,(H,28,31)
InChIKeyVDLPKDZDFULSNV-UHFFFAOYSA-N
XLogP6.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.40
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-prop-2-ynylpyridine-3-carboxamide
CID 21289355
5-bromo-1-[(3-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289430
1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040375
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
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
5-bromo-N-(2-ethyl-6-methylphenyl)-1-(2-ethylsulfanylethyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289454
1-[(3-chlorophenyl)methyl]-4-[[(4-chlorophenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20957688
1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
2-(3-chlorophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040411
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 21289457) is 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c(Cl)c1=O.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is VDLPKDZDFULSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O2/c1-5-18-10-8-11-19(6-2)23(18)28-25(31)21-15(3)29(16(4)22(27)24(21)30)14-17-9-7-12-20(26)13-17/h7-13H,5-6,14H2,1-4H3,(H,28,31).
What are the key properties of 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide?
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 457.40 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 21289457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).