5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C25H26FN3O2 — CID 74318085

IUPAC5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(CCc2ccccn2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H26FN3O2/c26-19-10-8-17(9-11-19)21-15-18(25(31)29-23-6-1-2-7-24(23)30)16-28-22(21)13-12-20-5-3-4-14-27-20/h3-5,8-11,14-16,23-24,30H,1-2,6-7,12-13H2,(H,29,31)
InChIKeyPMXQYXQXRIQCSG-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.10
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 74318085) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID74318085
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(CCc2ccccn2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H26FN3O2/c26-19-10-8-17(9-11-19)21-15-18(25(31)29-23-6-1-2-7-24(23)30)16-28-22(21)13-12-20-5-3-4-14-27-20/h3-5,8-11,14-16,23-24,30H,1-2,6-7,12-13H2,(H,29,31)
InChIKeyPMXQYXQXRIQCSG-UHFFFAOYSA-N
XLogP4.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 74318068
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide
CID 67504838
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
CID 67505408
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505139
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 74318085) is 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is O=C(NC1CCCCC1O)c1cnc(CCc2ccccn2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is PMXQYXQXRIQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-19-10-8-17(9-11-19)21-15-18(25(31)29-23-6-1-2-7-24(23)30)16-28-22(21)13-12-20-5-3-4-14-27-20/h3-5,8-11,14-16,23-24,30H,1-2,6-7,12-13H2,(H,29,31).
What are the key properties of 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-hydroxycyclohexyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 74318085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).