5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C20H20ClF3N2O3 — CID 11952383

IUPAC5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClF3N2O3/c21-14-7-5-12(6-8-14)15-9-13(10-25-19(15)29-11-20(22,23)24)18(28)26-16-3-1-2-4-17(16)27/h5-10,16-17,27H,1-4,11H2,(H,26,28)/t16-,17-/m1/s1
InChIKeyKMOLUSUCGKIBAQ-IAGOWNOFSA-N
MW428.84 g/mol
LogP4.38
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 11952383) has the molecular formula C20H20ClF3N2O3 and a molecular weight of 428.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID11952383
Molecular FormulaC20H20ClF3N2O3
Molecular Weight428.84 g/mol
Exact Mass428.11
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClF3N2O3/c21-14-7-5-12(6-8-14)15-9-13(10-25-19(15)29-11-20(22,23)24)18(28)26-16-3-1-2-4-17(16)27/h5-10,16-17,27H,1-4,11H2,(H,26,28)/t16-,17-/m1/s1
InChIKeyKMOLUSUCGKIBAQ-IAGOWNOFSA-N
XLogP4.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;5-(3,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162017411
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644
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-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[3-(2-oxopyrrolidin-1-yl)propoxy]pyridine-3-carboxamide
CID 67505011
5-(4-chlorophenyl)-N-[4-(2-hydroxyethyl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71293948
6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109649
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
CID 67505408

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 11952383) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is KMOLUSUCGKIBAQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3/c21-14-7-5-12(6-8-14)15-9-13(10-25-19(15)29-11-20(22,23)24)18(28)26-16-3-1-2-4-17(16)27/h5-10,16-17,27H,1-4,11H2,(H,26,28)/t16-,17-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 428.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11952383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).