1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one

C16H17FN2O — CID 82519547

IUPAC1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1ccc(-c2ccc(F)cc2)n(C2CC2)c1=O
InChIInChI=1S/C16H17FN2O/c1-18-10-12-4-9-15(11-2-5-13(17)6-3-11)19(16(12)20)14-7-8-14/h2-6,9,14,18H,7-8,10H2,1H3
InChIKeyNZRICBZFBLKGES-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.71
Rot. Bonds4

About 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one

1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one (PubChem CID 82519547) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
PubChem CID82519547
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1ccc(-c2ccc(F)cc2)n(C2CC2)c1=O
InChIInChI=1S/C16H17FN2O/c1-18-10-12-4-9-15(11-2-5-13(17)6-3-11)19(16(12)20)14-7-8-14/h2-6,9,14,18H,7-8,10H2,1H3
InChIKeyNZRICBZFBLKGES-UHFFFAOYSA-N
XLogP2.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one (CID 82519547) is 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one is CNCc1ccc(-c2ccc(F)cc2)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is NZRICBZFBLKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-18-10-12-4-9-15(11-2-5-13(17)6-3-11)19(16(12)20)14-7-8-14/h2-6,9,14,18H,7-8,10H2,1H3.
What are the key properties of 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one?
1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 272.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82519547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).