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

C17H18ClN3O2 — CID 109079293

IUPAC4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-2-3-9-20-16(22)12-8-10-19-15(11-12)17(23)21-14-6-4-13(18)5-7-14/h4-8,10-11H,2-3,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFPWBZQNZGONXOH-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.52
Rot. Bonds6

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

4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079293) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109079293
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-2-3-9-20-16(22)12-8-10-19-15(11-12)17(23)21-14-6-4-13(18)5-7-14/h4-8,10-11H,2-3,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFPWBZQNZGONXOH-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

4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide (CID 109079293) is 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is FPWBZQNZGONXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-3-9-20-16(22)12-8-10-19-15(11-12)17(23)21-14-6-4-13(18)5-7-14/h4-8,10-11H,2-3,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-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 4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).