N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H24F3N3O3 — CID 55578672

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CN(CCCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC(C)O1
InChIInChI=1S/C17H24F3N3O3/c1-12-8-22(9-13(2)26-12)7-3-6-21-15(24)11-23-10-14(17(18,19)20)4-5-16(23)25/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,21,24)
InChIKeyCAMWRVWYSCLZST-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.48
Rot. Bonds6

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55578672) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55578672
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CN(CCCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC(C)O1
InChIInChI=1S/C17H24F3N3O3/c1-12-8-22(9-13(2)26-12)7-3-6-21-15(24)11-23-10-14(17(18,19)20)4-5-16(23)25/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,21,24)
InChIKeyCAMWRVWYSCLZST-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55578672) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC1CN(CCCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CAMWRVWYSCLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-12-8-22(9-13(2)26-12)7-3-6-21-15(24)11-23-10-14(17(18,19)20)4-5-16(23)25/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55578672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).