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

C34H35BrCl2F6N4O6 — CID 162017411

IUPAC5-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
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1.O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C20H19Cl2F3N2O3.C14H16BrF3N2O3/c21-14-6-5-11(8-15(14)22)13-7-12(9-26-19(13)30-10-20(23,24)25)18(29)27-16-3-1-2-4-17(16)28;15-9-5-8(6-19-13(9)23-7-14(16,17)18)12(22)20-10-3-1-2-4-11(10)21/h5-9,16-17,28H,1-4,10H2,(H,27,29);5-6,10-11,21H,1-4,7H2,(H,20,22)/t16-,17-;10-,11-/m11/s1
InChIKeyYUHHENXWOMZUQU-MFWAXQNQSA-N
MW860.47 g/mol
LogP7.85
Rot. Bonds9

About 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

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 (PubChem CID 162017411) has the molecular formula C34H35BrCl2F6N4O6 and a molecular weight of 860.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID162017411
Molecular FormulaC34H35BrCl2F6N4O6
Molecular Weight860.47 g/mol
Exact Mass858.10
IUPAC Name5-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
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1.O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C20H19Cl2F3N2O3.C14H16BrF3N2O3/c21-14-6-5-11(8-15(14)22)13-7-12(9-26-19(13)30-10-20(23,24)25)18(29)27-16-3-1-2-4-17(16)28;15-9-5-8(6-19-13(9)23-7-14(16,17)18)12(22)20-10-3-1-2-4-11(10)21/h5-9,16-17,28H,1-4,10H2,(H,27,29);5-6,10-11,21H,1-4,7H2,(H,20,22)/t16-,17-;10-,11-/m11/s1
InChIKeyYUHHENXWOMZUQU-MFWAXQNQSA-N
XLogP7.85
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.47
LogP ≤ 57.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 67971457
5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 137036746
6-butoxy-5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 69383374
N-(2-cyclopropyl-2-methoxyiminoethyl)-5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 76530255
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644
5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 86634806
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1.O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(Br)c1.
What is the InChIKey of 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?
The InChIKey is YUHHENXWOMZUQU-MFWAXQNQSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O3.C14H16BrF3N2O3/c21-14-6-5-11(8-15(14)22)13-7-12(9-26-19(13)30-10-20(23,24)25)18(29)27-16-3-1-2-4-17(16)28;15-9-5-8(6-19-13(9)23-7-14(16,17)18)12(22)20-10-3-1-2-4-11(10)21/h5-9,16-17,28H,1-4,10H2,(H,27,29);5-6,10-11,21H,1-4,7H2,(H,20,22)/t16-,17-;10-,11-/m11/s1.
What are the key properties of 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?
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 has a molecular weight of 860.47 g/mol, XLogP of 7.85, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162017411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).