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

C13H18F3N3O2 — CID 157042169

IUPAC3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)10-8-11(17)12(20)19(9-10)3-1-2-18-4-6-21-7-5-18/h8-9H,1-7,17H2
InChIKeyVOVSCQUHGDBMHC-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.17
Rot. Bonds4

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

3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157042169) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID157042169
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)10-8-11(17)12(20)19(9-10)3-1-2-18-4-6-21-7-5-18/h8-9H,1-7,17H2
InChIKeyVOVSCQUHGDBMHC-UHFFFAOYSA-N
XLogP1.17
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 47360137
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 47492552
2,2,6-trimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 48642010
2,2-dimethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 72047696
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
3-Amino-5-fluoro-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 130269256
3-Amino-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041792
3-Isothiocyanato-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042433
3-Amino-1-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042484
3-Amino-1-(oxolan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164558965
3-Amino-1-(oxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164559543

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one (CID 157042169) is 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one is Nc1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O.
What is the InChIKey of 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is VOVSCQUHGDBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)10-8-11(17)12(20)19(9-10)3-1-2-18-4-6-21-7-5-18/h8-9H,1-7,17H2.
What are the key properties of 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 305.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157042169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).