5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C22H18F4N2O3 — CID 170701061

IUPAC5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C22H18F4N2O3/c1-13(12-29)28-20(30)15-10-19(14-3-2-4-17(23)9-14)21(27-11-15)31-18-7-5-16(6-8-18)22(24,25)26/h2-11,13,29H,12H2,1H3,(H,28,30)/t13-/m1/s1
InChIKeyHGONGNHAKZERPK-CYBMUJFWSA-N
MW434.39 g/mol
LogP4.81
Rot. Bonds6

About 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701061) has the molecular formula C22H18F4N2O3 and a molecular weight of 434.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID170701061
Molecular FormulaC22H18F4N2O3
Molecular Weight434.39 g/mol
Exact Mass434.13
IUPAC Name5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C22H18F4N2O3/c1-13(12-29)28-20(30)15-10-19(14-3-2-4-17(23)9-14)21(27-11-15)31-18-7-5-16(6-8-18)22(24,25)26/h2-11,13,29H,12H2,1H3,(H,28,30)/t13-/m1/s1
InChIKeyHGONGNHAKZERPK-CYBMUJFWSA-N
XLogP4.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide
CID 170701273
N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
5-(3-fluorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701194
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
N-[(2S,3S)-1,3-dihydroxybutan-2-yl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701311
6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 170701165
N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701098
N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214032
N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701047

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701061) is 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is C[C@H](CO)NC(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is HGONGNHAKZERPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18F4N2O3/c1-13(12-29)28-20(30)15-10-19(14-3-2-4-17(23)9-14)21(27-11-15)31-18-7-5-16(6-8-18)22(24,25)26/h2-11,13,29H,12H2,1H3,(H,28,30)/t13-/m1/s1.
What are the key properties of 5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 434.39 g/mol, XLogP of 4.81, 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-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).