1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one

C13H19F3N2O2 — CID 107506371

IUPAC1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(COC)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O2/c1-3-7-17-10(9-20-2)8-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyOTCKVYWXHRUNDI-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.88
Rot. Bonds7

About 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one

1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 107506371) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID107506371
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCCNC(COC)Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C13H19F3N2O2/c1-3-7-17-10(9-20-2)8-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyOTCKVYWXHRUNDI-UHFFFAOYSA-N
XLogP1.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
1-[2-(1-Methoxypropan-2-ylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280431
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826173
5-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65803656
3-Amino-1-(2-(trifluoromethoxy)ethyl)pyridin-2(1h)-one
CID 65804974
1-(2,2-Difluoroethyl)-3-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-1-propan-2-ylurea
CID 71914844
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958114
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methylpropanamide
CID 79793548
Methyl 2-acetamido-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
CID 81308626
1-[2-[2-(Diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81309766
1-[2-(4-Ethoxybutylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310931

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one (CID 107506371) is 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one is CCCNC(COC)Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is OTCKVYWXHRUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-3-7-17-10(9-20-2)8-18-11(13(14,15)16)5-4-6-12(18)19/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one?
1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 292.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 107506371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).