1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C17H17F3N2O4 — CID 32539619

IUPAC1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1
InChIInChI=1S/C17H17F3N2O4/c1-10-2-4-12(5-3-10)26-9-11(23)8-22-14(17(18,19)20)7-6-13(15(21)24)16(22)25/h2-7,11,23H,8-9H2,1H3,(H2,21,24)/t11-/m0/s1
InChIKeyQXCSKOJFTAZUMU-NSHDSACASA-N
MW370.33 g/mol
LogP1.71
Rot. Bonds6

About 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 32539619) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID32539619
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1
InChIInChI=1S/C17H17F3N2O4/c1-10-2-4-12(5-3-10)26-9-11(23)8-22-14(17(18,19)20)7-6-13(15(21)24)16(22)25/h2-7,11,23H,8-9H2,1H3,(H2,21,24)/t11-/m0/s1
InChIKeyQXCSKOJFTAZUMU-NSHDSACASA-N
XLogP1.71
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47021752
1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 32540858
1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39025326
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689
(3aR,7aR)-2-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124744093
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2-[7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetic acid
CID 42504033
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 32539619) is 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QXCSKOJFTAZUMU-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-10-2-4-12(5-3-10)26-9-11(23)8-22-14(17(18,19)20)7-6-13(15(21)24)16(22)25/h2-7,11,23H,8-9H2,1H3,(H2,21,24)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 32539619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).