2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide

C17H17Cl2N3O2 — CID 109094367

IUPAC2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-3-9-20-16(23)13-5-4-6-14(21-13)17(24)22-15-10-11(18)7-8-12(15)19/h4-8,10H,2-3,9H2,1H3,(H,20,23)(H,22,24)
InChIKeyPTYSVXPGZHDHSN-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.17
Rot. Bonds6

About 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide

2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109094367) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109094367
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-3-9-20-16(23)13-5-4-6-14(21-13)17(24)22-15-10-11(18)7-8-12(15)19/h4-8,10H,2-3,9H2,1H3,(H,20,23)(H,22,24)
InChIKeyPTYSVXPGZHDHSN-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

2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
CID 109094379
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-N-(2,5-dichlorophenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097197

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide (CID 109094367) is 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is PTYSVXPGZHDHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-2-3-9-20-16(23)13-5-4-6-14(21-13)17(24)22-15-10-11(18)7-8-12(15)19/h4-8,10H,2-3,9H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-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 2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).