(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone

C21H24FN3O2 — CID 24771368

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2
InChIKeyIQOWHZHNGJXGHG-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.71
Rot. Bonds4

About (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone

(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone (PubChem CID 24771368) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
PubChem CID24771368
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2
InChIKeyIQOWHZHNGJXGHG-UHFFFAOYSA-N
XLogP3.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone (CID 24771368) is (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone is O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The InChIKey is IQOWHZHNGJXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
(4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone has a molecular weight of 369.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 24771368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).