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

C14H19F3N2O3 — CID 111447317

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

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

N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111447317) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111447317
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC NameN-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(O)CC(C)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H19F3N2O3/c1-9(6-10(2)20)7-18-12(21)8-19-5-3-4-11(13(19)22)14(15,16)17/h3-5,9-10,20H,6-8H2,1-2H3,(H,18,21)
InChIKeyYADZDXFCOISFSZ-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-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111447317) is N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(O)CC(C)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is YADZDXFCOISFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-9(6-10(2)20)7-18-12(21)8-19-5-3-4-11(13(19)22)14(15,16)17/h3-5,9-10,20H,6-8H2,1-2H3,(H,18,21).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(4-hydroxy-2-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-(4-hydroxy-2-methylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111447317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).