6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H25F4N3O2 — CID 24797619

IUPAC6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H25F4N3O2/c27-19-9-10-20(31-15-19)11-12-22-21(16-5-7-18(8-6-16)26(28,29)30)13-17(14-32-22)25(35)33-23-3-1-2-4-24(23)34/h5-10,13-15,23-24,34H,1-4,11-12H2,(H,33,35)/t23-,24-/m1/s1
InChIKeyLGELOBLJCXIBFY-DNQXCXABSA-N
MW487.50 g/mol
LogP5.12
Rot. Bonds6

About 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 24797619) has the molecular formula C26H25F4N3O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID24797619
Molecular FormulaC26H25F4N3O2
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC Name6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H25F4N3O2/c27-19-9-10-20(31-15-19)11-12-22-21(16-5-7-18(8-6-16)26(28,29)30)13-17(14-32-22)25(35)33-23-3-1-2-4-24(23)34/h5-10,13-15,23-24,34H,1-4,11-12H2,(H,33,35)/t23-,24-/m1/s1
InChIKeyLGELOBLJCXIBFY-DNQXCXABSA-N
XLogP5.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 24797619) is 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is LGELOBLJCXIBFY-DNQXCXABSA-N. The full InChI is InChI=1S/C26H25F4N3O2/c27-19-9-10-20(31-15-19)11-12-22-21(16-5-7-18(8-6-16)26(28,29)30)13-17(14-32-22)25(35)33-23-3-1-2-4-24(23)34/h5-10,13-15,23-24,34H,1-4,11-12H2,(H,33,35)/t23-,24-/m1/s1.
What are the key properties of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 24797619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).