2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide

C15H22F3N3O2 — CID 176694526

IUPAC2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCN(c1ncc(C(F)(F)F)c(C)c1C(=O)NC)[C@@H](C)CO
InChIInChI=1S/C15H22F3N3O2/c1-5-6-21(9(2)8-22)13-12(14(23)19-4)10(3)11(7-20-13)15(16,17)18/h7,9,22H,5-6,8H2,1-4H3,(H,19,23)/t9-/m0/s1
InChIKeyREKPQSLYTFISBS-VIFPVBQESA-N
MW333.35 g/mol
LogP2.37
Rot. Bonds6

About 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide

2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 176694526) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID176694526
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCN(c1ncc(C(F)(F)F)c(C)c1C(=O)NC)[C@@H](C)CO
InChIInChI=1S/C15H22F3N3O2/c1-5-6-21(9(2)8-22)13-12(14(23)19-4)10(3)11(7-20-13)15(16,17)18/h7,9,22H,5-6,8H2,1-4H3,(H,19,23)/t9-/m0/s1
InChIKeyREKPQSLYTFISBS-VIFPVBQESA-N
XLogP2.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 176694526) is 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide is CCCN(c1ncc(C(F)(F)F)c(C)c1C(=O)NC)[C@@H](C)CO.
What is the InChIKey of 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is REKPQSLYTFISBS-VIFPVBQESA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-5-6-21(9(2)8-22)13-12(14(23)19-4)10(3)11(7-20-13)15(16,17)18/h7,9,22H,5-6,8H2,1-4H3,(H,19,23)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-N,4-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176694526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).