N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C23H21Cl2N3O3 — CID 55759204

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C23H21Cl2N3O3/c1-3-28(13-20(29)27-21-17(24)8-5-9-18(21)25)23(31)16-10-11-19(26-22(16)30)15-7-4-6-14(2)12-15/h4-12H,3,13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNCQGPZRYBWCXDR-UHFFFAOYSA-N
MW458.35 g/mol
LogP4.76
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55759204) has the molecular formula C23H21Cl2N3O3 and a molecular weight of 458.35 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55759204
Molecular FormulaC23H21Cl2N3O3
Molecular Weight458.35 g/mol
Exact Mass457.10
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O
InChIInChI=1S/C23H21Cl2N3O3/c1-3-28(13-20(29)27-21-17(24)8-5-9-18(21)25)23(31)16-10-11-19(26-22(16)30)15-7-4-6-14(2)12-15/h4-12H,3,13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNCQGPZRYBWCXDR-UHFFFAOYSA-N
XLogP4.76
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55755078
2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016807
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-phenylthiophene-2-carboxamide
CID 112802848
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994
N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 31713151
N-ethyl-N-(2-hydroxyethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 78884731

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55759204) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NCQGPZRYBWCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3/c1-3-28(13-20(29)27-21-17(24)8-5-9-18(21)25)23(31)16-10-11-19(26-22(16)30)15-7-4-6-14(2)12-15/h4-12H,3,13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 458.35 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55759204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).