6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H25F3N2O4 — CID 11951657

IUPAC6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H25F3N2O4/c24-23(25,26)32-17-9-7-15(8-10-17)18-11-16(12-27-22(18)31-13-14-5-6-14)21(30)28-19-3-1-2-4-20(19)29/h7-12,14,19-20,29H,1-6,13H2,(H,28,30)/t19-,20-/m1/s1
InChIKeyIOTRBXRSOUGNJM-WOJBJXKFSA-N
MW450.46 g/mol
LogP4.47
Rot. Bonds7

About 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 11951657) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID11951657
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H25F3N2O4/c24-23(25,26)32-17-9-7-15(8-10-17)18-11-16(12-27-22(18)31-13-14-5-6-14)21(30)28-19-3-1-2-4-20(19)29/h7-12,14,19-20,29H,1-6,13H2,(H,28,30)/t19-,20-/m1/s1
InChIKeyIOTRBXRSOUGNJM-WOJBJXKFSA-N
XLogP4.47
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
Ondelopran
CID 10457387
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10223831
6-butoxy-5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11842620
6-(Cyclopentyloxy)-5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(1beta)-2alpha-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11950958
5-(4-Chloro-phenyl)-6-cyclopropylmethoxy-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951124
5-[2-chloro-5-(trifluoromethyl)phenyl]-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11951128
6-Cyclopropylmethoxy-5-(2,4-dichloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951300
5-(4-Chloro-phenyl)-N-(trans-2-hydroxy-cyclohexyl)-6-(2-methoxy-ethoxy)-nicotinamide
CID 11951302
6-Cyclopropylmethoxy-5-(4-fluoro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951655
6-Cyclopropylmethoxy-N-((trans)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethyl-phenyl)-nicotinamide
CID 11951656

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 11951657) is 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is IOTRBXRSOUGNJM-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c24-23(25,26)32-17-9-7-15(8-10-17)18-11-16(12-27-22(18)31-13-14-5-6-14)21(30)28-19-3-1-2-4-20(19)29/h7-12,14,19-20,29H,1-6,13H2,(H,28,30)/t19-,20-/m1/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11951657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).