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

C18H19Cl2N3O2 — CID 109089825

IUPAC2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-3-4-8-22-17(24)12-7-9-21-16(10-12)18(25)23-15-6-5-13(19)11-14(15)20/h5-7,9-11H,2-4,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyBEMAWUHZVPPYLO-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.56
Rot. Bonds7

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

2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109089825) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109089825
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-3-4-8-22-17(24)12-7-9-21-16(10-12)18(25)23-15-6-5-13(19)11-14(15)20/h5-7,9-11H,2-4,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyBEMAWUHZVPPYLO-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

5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
methyl 2-[[4-(pentylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089807
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide (CID 109089825) is 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is BEMAWUHZVPPYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-3-4-8-22-17(24)12-7-9-21-16(10-12)18(25)23-15-6-5-13(19)11-14(15)20/h5-7,9-11H,2-4,8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-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 2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).