N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide

C20H17Cl2N3O — CID 109189200

IUPACN-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C20H17Cl2N3O/c1-25(13-14-5-3-2-4-6-14)20(26)19-10-8-16(12-23-19)24-18-9-7-15(21)11-17(18)22/h2-12,24H,13H2,1H3
InChIKeyNNJLFNBTQINSCJ-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.40
Rot. Bonds5

About N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide

N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109189200) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
PubChem CID109189200
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C20H17Cl2N3O/c1-25(13-14-5-3-2-4-6-14)20(26)19-10-8-16(12-23-19)24-18-9-7-15(21)11-17(18)22/h2-12,24H,13H2,1H3
InChIKeyNNJLFNBTQINSCJ-UHFFFAOYSA-N
XLogP5.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109210988
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687
N-(2,4-dichlorophenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198930
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide (CID 109189200) is N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is NNJLFNBTQINSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-25(13-14-5-3-2-4-6-14)20(26)19-10-8-16(12-23-19)24-18-9-7-15(21)11-17(18)22/h2-12,24H,13H2,1H3.
What are the key properties of N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide?
N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109189200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).