4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

C17H19Cl2N3O — CID 109217368

IUPAC4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)6-8-21-17(23)15-10-12(7-9-20-15)22-16-13(18)4-3-5-14(16)19/h3-5,7,9-11H,6,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIESCDUTZYHRUNE-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.91
Rot. Bonds6

About 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109217368) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109217368
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)6-8-21-17(23)15-10-12(7-9-20-15)22-16-13(18)4-3-5-14(16)19/h3-5,7,9-11H,6,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIESCDUTZYHRUNE-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217376
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600
ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089566
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
2-(3-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311960
N-(2,6-dichlorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220710

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109217368) is 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is IESCDUTZYHRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-11(2)6-8-21-17(23)15-10-12(7-9-20-15)22-16-13(18)4-3-5-14(16)19/h3-5,7,9-11H,6,8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).