3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one

C14H19F3N2O2 — CID 167584976

IUPAC3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C14H19F3N2O2/c1-11-9-12(14(15,16)17)10-19(13(11)20)4-2-3-18-5-7-21-8-6-18/h9-10H,2-8H2,1H3
InChIKeyMNXOPWPJSAMHPW-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.90
Rot. Bonds4

About 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one

3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 167584976) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID167584976
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C14H19F3N2O2/c1-11-9-12(14(15,16)17)10-19(13(11)20)4-2-3-18-5-7-21-8-6-18/h9-10H,2-8H2,1H3
InChIKeyMNXOPWPJSAMHPW-UHFFFAOYSA-N
XLogP1.90
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,6-trimethyl-3-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-2(1H)-one
CID 56862553
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 74239871
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 93610467
1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 94017593
1-Tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90395510
(2Z)-2-(1-fluoropropylidene)-5-methyl-1-morpholin-4-ylhepta-3,6-dien-1-one
CID 144144180
(2-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
CID 145081692
1-[4-[(3R)-3-methylmorpholin-4-yl]-4-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]pyridin-2-one
CID 156313773
Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one (CID 167584976) is 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O.
What is the InChIKey of 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MNXOPWPJSAMHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-11-9-12(14(15,16)17)10-19(13(11)20)4-2-3-18-5-7-21-8-6-18/h9-10H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 167584976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).