5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

C24H26ClF3N2O3 — CID 11950958

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C24H26ClF3N2O3/c25-19-10-9-15(24(26,27)28)12-17(19)18-11-14(13-29-23(18)33-16-5-1-2-6-16)22(32)30-20-7-3-4-8-21(20)31/h9-13,16,20-21,31H,1-8H2,(H,30,32)/t20-,21-/m1/s1
InChIKeyUCFBUCVIBJVXEU-NHCUHLMSSA-N
MW482.93 g/mol
LogP5.78
Rot. Bonds5

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 11950958) has the molecular formula C24H26ClF3N2O3 and a molecular weight of 482.93 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID11950958
Molecular FormulaC24H26ClF3N2O3
Molecular Weight482.93 g/mol
Exact Mass482.16
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C24H26ClF3N2O3/c25-19-10-9-15(24(26,27)28)12-17(19)18-11-14(13-29-23(18)33-16-5-1-2-6-16)22(32)30-20-7-3-4-8-21(20)31/h9-13,16,20-21,31H,1-8H2,(H,30,32)/t20-,21-/m1/s1
InChIKeyUCFBUCVIBJVXEU-NHCUHLMSSA-N
XLogP5.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.93
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 11950958) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is UCFBUCVIBJVXEU-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H26ClF3N2O3/c25-19-10-9-15(24(26,27)28)12-17(19)18-11-14(13-29-23(18)33-16-5-1-2-6-16)22(32)30-20-7-3-4-8-21(20)31/h9-13,16,20-21,31H,1-8H2,(H,30,32)/t20-,21-/m1/s1.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 482.93 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxy-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 11950958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).