4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide

C17H17Cl2N3O2 — CID 109079353

IUPAC4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-3-7-21-16(23)11-6-8-20-15(9-11)17(24)22-12-4-5-13(18)14(19)10-12/h4-6,8-10H,2-3,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJRBAFTHSXUEKCR-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.17
Rot. Bonds6

About 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide

4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079353) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109079353
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-3-7-21-16(23)11-6-8-20-15(9-11)17(24)22-12-4-5-13(18)14(19)10-12/h4-6,8-10H,2-3,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJRBAFTHSXUEKCR-UHFFFAOYSA-N
XLogP4.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.17
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-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide (CID 109079353) is 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JRBAFTHSXUEKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-2-3-7-21-16(23)11-6-8-20-15(9-11)17(24)22-12-4-5-13(18)14(19)10-12/h4-6,8-10H,2-3,7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.17, 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-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).