5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C23H18F4N2O3 — CID 170701046

IUPAC5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C23H18F4N2O3/c24-17-3-1-2-14(10-17)19-11-15(20(31)29-22(13-30)8-9-22)12-28-21(19)32-18-6-4-16(5-7-18)23(25,26)27/h1-7,10-12,30H,8-9,13H2,(H,29,31)
InChIKeyXNQPXEICAWHWQW-UHFFFAOYSA-N
MW446.40 g/mol
LogP4.95
Rot. Bonds6

About 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701046) has the molecular formula C23H18F4N2O3 and a molecular weight of 446.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID170701046
Molecular FormulaC23H18F4N2O3
Molecular Weight446.40 g/mol
Exact Mass446.13
IUPAC Name5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C23H18F4N2O3/c24-17-3-1-2-14(10-17)19-11-15(20(31)29-22(13-30)8-9-22)12-28-21(19)32-18-6-4-16(5-7-18)23(25,26)27/h1-7,10-12,30H,8-9,13H2,(H,29,31)
InChIKeyXNQPXEICAWHWQW-UHFFFAOYSA-N
XLogP4.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ondelopran
CID 10457387
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
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
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-(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
6-Cyclopropylmethoxy-N-((trans)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethoxy-phenyl)-nicotinamide
CID 11951657

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701046) is 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is O=C(NC1(CO)CC1)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is XNQPXEICAWHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O3/c24-17-3-1-2-14(10-17)19-11-15(20(31)29-22(13-30)8-9-22)12-28-21(19)32-18-6-4-16(5-7-18)23(25,26)27/h1-7,10-12,30H,8-9,13H2,(H,29,31).
What are the key properties of 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 446.40 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).