5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide

C21H17F4N3O3 — CID 170701273

IUPAC5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)nc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C21H17F4N3O3/c1-12(11-29)28-19(30)14-8-17(13-3-2-4-15(22)7-13)20(27-9-14)31-16-5-6-18(26-10-16)21(23,24)25/h2-10,12,29H,11H2,1H3,(H,28,30)/t12-/m1/s1
InChIKeyPLCFEDUWBNXFDV-GFCCVEGCSA-N
MW435.38 g/mol
LogP4.20
Rot. Bonds6

About 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide

5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide (PubChem CID 170701273) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide
PubChem CID170701273
Molecular FormulaC21H17F4N3O3
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)nc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C21H17F4N3O3/c1-12(11-29)28-19(30)14-8-17(13-3-2-4-15(22)7-13)20(27-9-14)31-16-5-6-18(26-10-16)21(23,24)25/h2-10,12,29H,11H2,1H3,(H,28,30)/t12-/m1/s1
InChIKeyPLCFEDUWBNXFDV-GFCCVEGCSA-N
XLogP4.20
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701061
5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701194
N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
5-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701046
[5-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]boronic acid
CID 170701106
N-[(2R)-1-hydroxypropan-2-yl]-5-(5-methyl-1,3-thiazol-2-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701164
5-(3-fluorophenyl)-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701183
6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 138634209
6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 170701165
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 58533769

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide (CID 170701273) is 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide is C[C@H](CO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)nc2)c(-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide?
The InChIKey is PLCFEDUWBNXFDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c1-12(11-29)28-19(30)14-8-17(13-3-2-4-15(22)7-13)20(27-9-14)31-16-5-6-18(26-10-16)21(23,24)25/h2-10,12,29H,11H2,1H3,(H,28,30)/t12-/m1/s1.
What are the key properties of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide?
5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).