5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide

C18H19Cl2N3O2 — CID 109107296

IUPAC5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-3-4-7-22-17(24)12-8-13(11-21-10-12)18(25)23-16-6-5-14(19)9-15(16)20/h5-6,8-11H,2-4,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyROAYWNPKNWDLIY-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.56
Rot. Bonds7

About 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide

5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide (PubChem CID 109107296) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
PubChem CID109107296
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-3-4-7-22-17(24)12-8-13(11-21-10-12)18(25)23-16-6-5-14(19)9-15(16)20/h5-6,8-11H,2-4,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyROAYWNPKNWDLIY-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.56
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

1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107229
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide (CID 109107296) is 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide is CCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
The InChIKey is ROAYWNPKNWDLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-3-4-7-22-17(24)12-8-13(11-21-10-12)18(25)23-16-6-5-14(19)9-15(16)20/h5-6,8-11H,2-4,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).