6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide

C20H24FN3O2 — CID 37360268

IUPAC6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H24FN3O2/c21-17-6-8-18(9-7-17)26-14-11-22-20(25)16-5-10-19(23-15-16)24-12-3-1-2-4-13-24/h5-10,15H,1-4,11-14H2,(H,22,25)
InChIKeyIDQJGGUUBVVJFT-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.41
Rot. Bonds6

About 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 37360268) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
PubChem CID37360268
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H24FN3O2/c21-17-6-8-18(9-7-17)26-14-11-22-20(25)16-5-10-19(23-15-16)24-12-3-1-2-4-13-24/h5-10,15H,1-4,11-14H2,(H,22,25)
InChIKeyIDQJGGUUBVVJFT-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491896
6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
CID 37109544
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide (CID 37360268) is 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide is O=C(NCCOc1ccc(F)cc1)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is IDQJGGUUBVVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-6-8-18(9-7-17)26-14-11-22-20(25)16-5-10-19(23-15-16)24-12-3-1-2-4-13-24/h5-10,15H,1-4,11-14H2,(H,22,25).
What are the key properties of 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 37360268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).