1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one

C12H17F3N2O2 — CID 63279698

IUPAC1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-19-8-6-16-5-2-7-17-9-10(12(13,14)15)3-4-11(17)18/h3-4,9,16H,2,5-8H2,1H3
InChIKeyDPMDNIHSGKKIEG-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.49
Rot. Bonds7

About 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one

1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279698) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279698
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H17F3N2O2/c1-19-8-6-16-5-2-7-17-9-10(12(13,14)15)3-4-11(17)18/h3-4,9,16H,2,5-8H2,1H3
InChIKeyDPMDNIHSGKKIEG-UHFFFAOYSA-N
XLogP1.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-N-(3-morpholinopropyl)nicotinamide
CID 43091005
5-{[ethyl(2-methylallyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 53191683
N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894327
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-2(1H)-one
CID 56875977
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridine-3-carboxamide
CID 74239871
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
2-(azetidin-3-ylmethyl)-8-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-3H-isoquinoline-7-carboxamide
CID 123788739
(3Z)-3-[[[1-[6-fluoro-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]azetidin-3-yl]methyl-methylamino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188722
1-[[5-(2-Hydroxyethylamino)-5-methylcyclohepta-1,3,6-trien-1-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 144095314
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747390
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279698) is 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one is COCCNCCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DPMDNIHSGKKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-19-8-6-16-5-2-7-17-9-10(12(13,14)15)3-4-11(17)18/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 278.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethylamino)propyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).