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

C10H13F3N2O — CID 63279700

IUPAC1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H13F3N2O/c1-14-5-2-6-15-7-8(10(11,12)13)3-4-9(15)16/h3-4,7,14H,2,5-6H2,1H3
InChIKeyQVETTXQRTKCEJZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.48
Rot. Bonds4

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

1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279700) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279700
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H13F3N2O/c1-14-5-2-6-15-7-8(10(11,12)13)3-4-9(15)16/h3-4,7,14H,2,5-6H2,1H3
InChIKeyQVETTXQRTKCEJZ-UHFFFAOYSA-N
XLogP1.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279700) is 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one is CNCCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QVETTXQRTKCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-14-5-2-6-15-7-8(10(11,12)13)3-4-9(15)16/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one?
1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).