3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile

C22H24N4O2 — CID 23624312

IUPAC3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(C(=O)N3CCCN(C4CCC4)CC3)cn2)c1
InChIInChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2
InChIKeyWWZNPNMHGHEVNB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.45
Rot. Bonds4

About 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile

3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile (PubChem CID 23624312) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
PubChem CID23624312
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(C(=O)N3CCCN(C4CCC4)CC3)cn2)c1
InChIInChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2
InChIKeyWWZNPNMHGHEVNB-UHFFFAOYSA-N
XLogP3.45
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile (CID 23624312) is 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile is N#Cc1cccc(Oc2ccc(C(=O)N3CCCN(C4CCC4)CC3)cn2)c1.
What is the InChIKey of 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is WWZNPNMHGHEVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2.
What are the key properties of 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 376.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 23624312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).