N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H24F3N3O3 — CID 55518991

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)N1CCOCC1
InChIInChI=1S/C17H24F3N3O3/c1-12(2)14(22-5-7-26-8-6-22)9-21-15(24)11-23-10-13(17(18,19)20)3-4-16(23)25/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,21,24)
InChIKeyUKSWEYXDMWDOGF-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.34
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55518991) 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-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55518991
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)C(CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)N1CCOCC1
InChIInChI=1S/C17H24F3N3O3/c1-12(2)14(22-5-7-26-8-6-22)9-21-15(24)11-23-10-13(17(18,19)20)3-4-16(23)25/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,21,24)
InChIKeyUKSWEYXDMWDOGF-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-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55518991) is N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)C(CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UKSWEYXDMWDOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-12(2)14(22-5-7-26-8-6-22)9-21-15(24)11-23-10-13(17(18,19)20)3-4-16(23)25/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-2-[2-oxo-5-(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-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55518991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).