N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H19F3N2O3 — CID 111460869

IUPACN-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H19F3N2O3/c1-9(2)11(20)5-6-18-12(21)8-19-7-3-4-10(13(19)22)14(15,16)17/h3-4,7,9,11,20H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyLDRVELYHPHYHLG-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.39
Rot. Bonds6

About N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111460869) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111460869
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H19F3N2O3/c1-9(2)11(20)5-6-18-12(21)8-19-7-3-4-10(13(19)22)14(15,16)17/h3-4,7,9,11,20H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyLDRVELYHPHYHLG-UHFFFAOYSA-N
XLogP1.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111460869) is N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)C(O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is LDRVELYHPHYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-9(2)11(20)5-6-18-12(21)8-19-7-3-4-10(13(19)22)14(15,16)17/h3-4,7,9,11,20H,5-6,8H2,1-2H3,(H,18,21).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111460869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).