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

C18H21FN2O — CID 82519544

IUPAC1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(-c2ccc(F)cc2)n(C2CC2)c1=O
InChIInChI=1S/C18H21FN2O/c1-2-11-20-12-14-5-10-17(13-3-6-15(19)7-4-13)21(18(14)22)16-8-9-16/h3-7,10,16,20H,2,8-9,11-12H2,1H3
InChIKeyYPMXCOICBYUZFN-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.49
Rot. Bonds6

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

1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one (PubChem CID 82519544) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one
PubChem CID82519544
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(-c2ccc(F)cc2)n(C2CC2)c1=O
InChIInChI=1S/C18H21FN2O/c1-2-11-20-12-14-5-10-17(13-3-6-15(19)7-4-13)21(18(14)22)16-8-9-16/h3-7,10,16,20H,2,8-9,11-12H2,1H3
InChIKeyYPMXCOICBYUZFN-UHFFFAOYSA-N
XLogP3.49
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.49
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-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one (CID 82519544) is 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one is CCCNCc1ccc(-c2ccc(F)cc2)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is YPMXCOICBYUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-2-11-20-12-14-5-10-17(13-3-6-15(19)7-4-13)21(18(14)22)16-8-9-16/h3-7,10,16,20H,2,8-9,11-12H2,1H3.
What are the key properties of 1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one?
1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.49, 6 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-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82519544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).