N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O4 — CID 72838670

IUPACN-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC1COCCO1)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H17F3N2O4/c1-18(7-10-9-22-5-6-23-10)12(20)8-19-4-2-3-11(13(19)21)14(15,16)17/h2-4,10H,5-9H2,1H3
InChIKeyZGBUJVZCNSVWAK-UHFFFAOYSA-N
MW334.29 g/mol
LogP0.74
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 72838670) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID72838670
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC1COCCO1)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H17F3N2O4/c1-18(7-10-9-22-5-6-23-10)12(20)8-19-4-2-3-11(13(19)21)14(15,16)17/h2-4,10H,5-9H2,1H3
InChIKeyZGBUJVZCNSVWAK-UHFFFAOYSA-N
XLogP0.74
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 72838670) is N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CN(CC1COCCO1)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ZGBUJVZCNSVWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-18(7-10-9-22-5-6-23-10)12(20)8-19-4-2-3-11(13(19)21)14(15,16)17/h2-4,10H,5-9H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 334.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 72838670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).