1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one

C15H21FN2O2 — CID 83126274

IUPAC1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)CC1CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-18(11-12-5-8-20-9-6-12)7-4-15(19)14-3-2-13(16)10-17-14/h2-3,10,12H,4-9,11H2,1H3
InChIKeyRCQUXBZZSMRCST-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.15
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one

1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one (PubChem CID 83126274) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
PubChem CID83126274
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cn1)CC1CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-18(11-12-5-8-20-9-6-12)7-4-15(19)14-3-2-13(16)10-17-14/h2-3,10,12H,4-9,11H2,1H3
InChIKeyRCQUXBZZSMRCST-UHFFFAOYSA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one (CID 83126274) is 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one is CN(CCC(=O)c1ccc(F)cn1)CC1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one?
The InChIKey is RCQUXBZZSMRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(11-12-5-8-20-9-6-12)7-4-15(19)14-3-2-13(16)10-17-14/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one has a molecular weight of 280.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 83126274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).