2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide

C17H18ClN3O2 — CID 109094306

IUPAC2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN3O2/c1-2-3-11-19-16(22)14-5-4-6-15(21-14)17(23)20-13-9-7-12(18)8-10-13/h4-10H,2-3,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyHRQDQNSMMHKSCU-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.52
Rot. Bonds6

About 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide

2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109094306) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109094306
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN3O2/c1-2-3-11-19-16(22)14-5-4-6-15(21-14)17(23)20-13-9-7-12(18)8-10-13/h4-10H,2-3,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyHRQDQNSMMHKSCU-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.52
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

2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
CID 109094379
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109098835
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
6-N-(4-phenoxyphenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093578
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide (CID 109094306) is 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is HRQDQNSMMHKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-3-11-19-16(22)14-5-4-6-15(21-14)17(23)20-13-9-7-12(18)8-10-13/h4-10H,2-3,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).