[6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone

C20H25FN2O2 — CID 15135734

IUPAC[6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone
SMILESCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C20H25FN2O2/c1-23(2)13-5-3-4-6-14-25-19-12-9-17(15-22-19)20(24)16-7-10-18(21)11-8-16/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeySAGNBGVTRDPCMH-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.95
Rot. Bonds10

About [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone

[6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone (PubChem CID 15135734) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone
PubChem CID15135734
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name[6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone
SMILESCN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C20H25FN2O2/c1-23(2)13-5-3-4-6-14-25-19-12-9-17(15-22-19)20(24)16-7-10-18(21)11-8-16/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeySAGNBGVTRDPCMH-UHFFFAOYSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone?
The IUPAC name of [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone (CID 15135734) is [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone is CN(C)CCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone?
The InChIKey is SAGNBGVTRDPCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-23(2)13-5-3-4-6-14-25-19-12-9-17(15-22-19)20(24)16-7-10-18(21)11-8-16/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone?
[6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone has a molecular weight of 344.43 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(dimethylamino)hexoxy]-3-pyridinyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 15135734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).