N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide

C21H25FN2O2 — CID 58533707

IUPACN-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O2/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25)
InChIKeyPIPZSISNZAOOBS-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.50
Rot. Bonds6

About N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide

N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide (PubChem CID 58533707) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
PubChem CID58533707
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O2/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25)
InChIKeyPIPZSISNZAOOBS-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
N-(2-bicyclo[2.2.1]heptanyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 161072866
6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 58533769
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
CID 58368095
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 54674404
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 76736087
6-(4-chlorohexa-2,4-dien-3-yloxymethyl)-N-(1-cyclohexylethyl)pyridine-3-carboxamide
CID 123887193
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide (CID 58533707) is N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide?
The InChIKey is PIPZSISNZAOOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25).
What are the key properties of N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide?
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58533707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).