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

C18H20FN3O2 — CID 24770966

IUPAC[6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C18H20FN3O2/c1-21-9-2-10-22(12-11-21)18(23)14-3-8-17(20-13-14)24-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3
InChIKeyOXDNXVGNFJXACF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.79
Rot. Bonds3

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

[6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 24770966) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID24770966
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C18H20FN3O2/c1-21-9-2-10-22(12-11-21)18(23)14-3-8-17(20-13-14)24-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3
InChIKeyOXDNXVGNFJXACF-UHFFFAOYSA-N
XLogP2.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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VU0404251
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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 24770966) is [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1.
What is the InChIKey of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is OXDNXVGNFJXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-21-9-2-10-22(12-11-21)18(23)14-3-8-17(20-13-14)24-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 329.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenoxy)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 24770966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).