N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C17H24F3N3O3 — CID 134001936

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)N1CCOCC1
InChIInChI=1S/C17H24F3N3O3/c1-12(2)14(22-6-8-26-9-7-22)10-21-15(24)11-23-5-3-4-13(16(23)25)17(18,19)20/h3-5,12,14H,6-11H2,1-2H3,(H,21,24)
InChIKeyGWTNCGHEDLYMNQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.34
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 134001936) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID134001936
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)N1CCOCC1
InChIInChI=1S/C17H24F3N3O3/c1-12(2)14(22-6-8-26-9-7-22)10-21-15(24)11-23-5-3-4-13(16(23)25)17(18,19)20/h3-5,12,14H,6-11H2,1-2H3,(H,21,24)
InChIKeyGWTNCGHEDLYMNQ-UHFFFAOYSA-N
XLogP1.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 134001936) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)C(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is GWTNCGHEDLYMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-12(2)14(22-6-8-26-9-7-22)10-21-15(24)11-23-5-3-4-13(16(23)25)17(18,19)20/h3-5,12,14H,6-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 134001936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).