1-(5-methoxy-2-pyridinyl)-1,4-diazepane

C11H17N3O — CID 83848456

IUPAC1-(5-methoxy-2-pyridinyl)-1,4-diazepane
SMILESCOc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H17N3O/c1-15-10-3-4-11(13-9-10)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3
InChIKeyWFNGFRCJVUIYLO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds2

About 1-(5-methoxy-2-pyridinyl)-1,4-diazepane

1-(5-methoxy-2-pyridinyl)-1,4-diazepane (PubChem CID 83848456) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(5-methoxy-2-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5-methoxy-2-pyridinyl)-1,4-diazepane
PubChem CID83848456
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(5-methoxy-2-pyridinyl)-1,4-diazepane
SMILESCOc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H17N3O/c1-15-10-3-4-11(13-9-10)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3
InChIKeyWFNGFRCJVUIYLO-UHFFFAOYSA-N
XLogP0.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pyridinyl)-1,4-diazepane?
The IUPAC name of 1-(5-methoxy-2-pyridinyl)-1,4-diazepane (CID 83848456) is 1-(5-methoxy-2-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 1-(5-methoxy-2-pyridinyl)-1,4-diazepane?
The canonical SMILES for 1-(5-methoxy-2-pyridinyl)-1,4-diazepane is COc1ccc(N2CCCNCC2)nc1.
What is the InChIKey of 1-(5-methoxy-2-pyridinyl)-1,4-diazepane?
The InChIKey is WFNGFRCJVUIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-10-3-4-11(13-9-10)14-7-2-5-12-6-8-14/h3-4,9,12H,2,5-8H2,1H3.
What are the key properties of 1-(5-methoxy-2-pyridinyl)-1,4-diazepane?
1-(5-methoxy-2-pyridinyl)-1,4-diazepane has a molecular weight of 207.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 83848456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).