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

C20H24FN3O2 — CID 109087942

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)NCCc2ccccc2F)ccn1
InChIInChI=1S/C20H24FN3O2/c1-2-3-6-11-23-20(26)18-14-16(10-12-22-18)19(25)24-13-9-15-7-4-5-8-17(15)21/h4-5,7-8,10,12,14H,2-3,6,9,11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyBICXZNDDJUGDTQ-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.11
Rot. Bonds9

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

4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109087942) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109087942
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)NCCc2ccccc2F)ccn1
InChIInChI=1S/C20H24FN3O2/c1-2-3-6-11-23-20(26)18-14-16(10-12-22-18)19(25)24-13-9-15-7-4-5-8-17(15)21/h4-5,7-8,10,12,14H,2-3,6,9,11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyBICXZNDDJUGDTQ-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.11
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

4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172478
4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088003

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide (CID 109087942) is 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1cc(C(=O)NCCc2ccccc2F)ccn1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is BICXZNDDJUGDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-2-3-6-11-23-20(26)18-14-16(10-12-22-18)19(25)24-13-9-15-7-4-5-8-17(15)21/h4-5,7-8,10,12,14H,2-3,6,9,11,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide?
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).