5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide

C20H24ClN3O2 — CID 109106595

IUPAC5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-3-4-10-23-19(25)16-12-17(14-22-13-16)20(26)24-11-9-15-5-7-18(21)8-6-15/h5-8,12-14H,2-4,9-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyUOCAYLDKNVHHQB-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.63
Rot. Bonds9

About 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide

5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide (PubChem CID 109106595) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
PubChem CID109106595
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-3-4-10-23-19(25)16-12-17(14-22-13-16)20(26)24-11-9-15-5-7-18(21)8-6-15/h5-8,12-14H,2-4,9-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyUOCAYLDKNVHHQB-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

5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide (CID 109106595) is 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide is CCCCCNC(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide?
The InChIKey is UOCAYLDKNVHHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-3-4-10-23-19(25)16-12-17(14-22-13-16)20(26)24-11-9-15-5-7-18(21)8-6-15/h5-8,12-14H,2-4,9-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide?
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-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 5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).