2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide

C20H24ClN3O2 — CID 109088529

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-3-4-11-23-19(25)16-10-13-22-18(14-16)20(26)24-12-9-15-5-7-17(21)8-6-15/h5-8,10,13-14H,2-4,9,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyAATVZAXCLBOWST-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.63
Rot. Bonds9

About 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide

2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109088529) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109088529
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-3-4-11-23-19(25)16-10-13-22-18(14-16)20(26)24-12-9-15-5-7-17(21)8-6-15/h5-8,10,13-14H,2-4,9,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyAATVZAXCLBOWST-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.63
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-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide (CID 109088529) is 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is AATVZAXCLBOWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-3-4-11-23-19(25)16-10-13-22-18(14-16)20(26)24-12-9-15-5-7-17(21)8-6-15/h5-8,10,13-14H,2-4,9,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide?
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).