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

C23H25F3N2O3 — CID 11951656

IUPAC6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)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
InChIKeyASKWEGSYUJLCPQ-WOJBJXKFSA-N
MW434.46 g/mol
LogP4.59
Rot. Bonds6

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

6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11951656) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11951656
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)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
InChIKeyASKWEGSYUJLCPQ-WOJBJXKFSA-N
XLogP4.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
6-butoxy-5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11842620
5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(pyridin-4-ylmethoxy)-nicotinamide
CID 11950590
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-trifluoromethoxy-phenyl)-nicotinamide
CID 11951657
6-benzyloxy-5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951661
5-(4-Chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[(1beta)-2alpha-hydroxycyclohexyl]pyridine-3-carboxamide
CID 11952383

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11951656) is 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ASKWEGSYUJLCPQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c24-23(25,26)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-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11951656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).