N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide

C16H17Cl2N3O — CID 109224520

IUPACN-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-2-3-7-20-16(22)11-8-12(10-19-9-11)21-15-13(17)5-4-6-14(15)18/h4-6,8-10,21H,2-3,7H2,1H3,(H,20,22)
InChIKeyGFLDXUKVPHTIQH-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.66
Rot. Bonds6

About N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide

N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide (PubChem CID 109224520) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
PubChem CID109224520
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-2-3-7-20-16(22)11-8-12(10-19-9-11)21-15-13(17)5-4-6-14(15)18/h4-6,8-10,21H,2-3,7H2,1H3,(H,20,22)
InChIKeyGFLDXUKVPHTIQH-UHFFFAOYSA-N
XLogP4.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222930
methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240080
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide (CID 109224520) is N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide?
The InChIKey is GFLDXUKVPHTIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-2-3-7-20-16(22)11-8-12(10-19-9-11)21-15-13(17)5-4-6-14(15)18/h4-6,8-10,21H,2-3,7H2,1H3,(H,20,22).
What are the key properties of N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide?
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109224520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).