N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide

C17H19Cl2N3O — CID 109161592

IUPACN-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-3-4-10-22(2)17(23)12-8-9-15(20-11-12)21-14-7-5-6-13(18)16(14)19/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyRIIXRKVGRKSUNZ-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.00
Rot. Bonds6

About N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide

N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109161592) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
PubChem CID109161592
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-3-4-10-22(2)17(23)12-8-9-15(20-11-12)21-14-7-5-6-13(18)16(14)19/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyRIIXRKVGRKSUNZ-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

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Related Compounds

N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158193
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide (CID 109161592) is N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is RIIXRKVGRKSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-3-4-10-22(2)17(23)12-8-9-15(20-11-12)21-14-7-5-6-13(18)16(14)19/h5-9,11H,3-4,10H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide?
N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-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-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109161592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).