N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide

C17H19Cl2N3O — CID 109196018

IUPACN-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H19Cl2N3O/c1-3-4-10-22(2)17(23)15-9-8-12(11-20-15)21-14-7-5-6-13(18)16(14)19/h5-9,11,21H,3-4,10H2,1-2H3
InChIKeyYSINAUDCHDLHCO-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.00
Rot. Bonds6

About N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide

N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109196018) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
PubChem CID109196018
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H19Cl2N3O/c1-3-4-10-22(2)17(23)15-9-8-12(11-20-15)21-14-7-5-6-13(18)16(14)19/h5-9,11,21H,3-4,10H2,1-2H3
InChIKeyYSINAUDCHDLHCO-UHFFFAOYSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109196007
methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109195986
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195948
5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide (CID 109196018) is N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is YSINAUDCHDLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-3-4-10-22(2)17(23)15-9-8-12(11-20-15)21-14-7-5-6-13(18)16(14)19/h5-9,11,21H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide?
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109196018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).