N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide

C17H19Cl2N3O — CID 109175552

IUPACN-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H19Cl2N3O/c1-3-4-9-22(2)17(23)12-7-8-20-16(10-12)21-15-6-5-13(18)11-14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyBKHBICJMNJKOKI-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.00
Rot. Bonds6

About N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide

N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide (PubChem CID 109175552) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
PubChem CID109175552
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H19Cl2N3O/c1-3-4-9-22(2)17(23)12-7-8-20-16(10-12)21-15-6-5-13(18)11-14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyBKHBICJMNJKOKI-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

2-(2,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167767
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109175534
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide
CID 109172539
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
N-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167896

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide (CID 109175552) is N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide?
The InChIKey is BKHBICJMNJKOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-3-4-9-22(2)17(23)12-7-8-20-16(10-12)21-15-6-5-13(18)11-14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide?
N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-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-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109175552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).