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

C20H19F3N4O3 — CID 170701223

IUPACN-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccn(C)n2)n1
InChIInChI=1S/C20H19F3N4O3/c1-12(11-28)24-19(29)16-7-8-17(18(25-16)15-9-10-27(2)26-15)30-14-5-3-13(4-6-14)20(21,22)23/h3-10,12,28H,11H2,1-2H3,(H,24,29)/t12-/m1/s1
InChIKeyDPNSYWGFRPLQLM-GFCCVEGCSA-N
MW420.39 g/mol
LogP3.40
Rot. Bonds6

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

N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (PubChem CID 170701223) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
PubChem CID170701223
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccn(C)n2)n1
InChIInChI=1S/C20H19F3N4O3/c1-12(11-28)24-19(29)16-7-8-17(18(25-16)15-9-10-27(2)26-15)30-14-5-3-13(4-6-14)20(21,22)23/h3-10,12,28H,11H2,1-2H3,(H,24,29)/t12-/m1/s1
InChIKeyDPNSYWGFRPLQLM-GFCCVEGCSA-N
XLogP3.40
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 170701335
N-[(2S,3S)-1,3-dihydroxybutan-2-yl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701311
2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid
CID 154305561
N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701098
N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 170701239
[5-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]boronic acid
CID 170701106
N-(1-hydroxypentan-3-yl)-5-(1-methylpyrazol-3-yl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701047
6-(4-ethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 170701165
N-[(2R)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304788
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701061

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (CID 170701223) is N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is C[C@H](CO)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccn(C)n2)n1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The InChIKey is DPNSYWGFRPLQLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-12(11-28)24-19(29)16-7-8-17(18(25-16)15-9-10-27(2)26-15)30-14-5-3-13(4-6-14)20(21,22)23/h3-10,12,28H,11H2,1-2H3,(H,24,29)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 170701223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).