N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

C22H27FN2O2 — CID 67043023

IUPACN-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C22H27FN2O2/c1-16-20(22(26)24-13-12-17-6-3-2-4-7-17)10-11-21(25-16)27-15-18-8-5-9-19(23)14-18/h5,8-11,14,17H,2-4,6-7,12-13,15H2,1H3,(H,24,26)
InChIKeyREDKGTNLIBTQKT-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.81
Rot. Bonds7

About N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (PubChem CID 67043023) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
PubChem CID67043023
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C22H27FN2O2/c1-16-20(22(26)24-13-12-17-6-3-2-4-7-17)10-11-21(25-16)27-15-18-8-5-9-19(23)14-18/h5,8-11,14,17H,2-4,6-7,12-13,15H2,1H3,(H,24,26)
InChIKeyREDKGTNLIBTQKT-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (CID 67043023) is N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is Cc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The InChIKey is REDKGTNLIBTQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-20(22(26)24-13-12-17-6-3-2-4-7-17)10-11-21(25-16)27-15-18-8-5-9-19(23)14-18/h5,8-11,14,17H,2-4,6-7,12-13,15H2,1H3,(H,24,26).
What are the key properties of N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 67043023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).