N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H21F3N2O2 — CID 111697434

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H21F3N2O2/c1-10(2)7-11(5-6-21)8-20-14(22)12-3-4-13(19-9-12)15(16,17)18/h3-4,9-11,21H,5-8H2,1-2H3,(H,20,22)
InChIKeyVXEJEROGWJDTSV-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 111697434) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID111697434
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H21F3N2O2/c1-10(2)7-11(5-6-21)8-20-14(22)12-3-4-13(19-9-12)15(16,17)18/h3-4,9-11,21H,5-8H2,1-2H3,(H,20,22)
InChIKeyVXEJEROGWJDTSV-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 111697434) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)CC(CCO)CNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VXEJEROGWJDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-10(2)7-11(5-6-21)8-20-14(22)12-3-4-13(19-9-12)15(16,17)18/h3-4,9-11,21H,5-8H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 111697434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).