6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C17H13N3O4 — CID 122248703

IUPAC6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)nc1
InChIInChI=1S/C17H13N3O4/c18-6-11-1-4-16(19-7-11)24-13-8-20(9-13)17(21)12-2-3-14-15(5-12)23-10-22-14/h1-5,7,13H,8-10H2
InChIKeyYVVNENWEZWQVLO-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.59
Rot. Bonds3

About 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248703) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248703
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)nc1
InChIInChI=1S/C17H13N3O4/c18-6-11-1-4-16(19-7-11)24-13-8-20(9-13)17(21)12-2-3-14-15(5-12)23-10-22-14/h1-5,7,13H,8-10H2
InChIKeyYVVNENWEZWQVLO-UHFFFAOYSA-N
XLogP1.59
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248635
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
3-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626761
1,3-benzodioxol-5-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 91627465
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627978
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248812
6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248644
6-[[(7S)-5-(furan-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile
CID 124787249
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248703) is 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)nc1.
What is the InChIKey of 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is YVVNENWEZWQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c18-6-11-1-4-16(19-7-11)24-13-8-20(9-13)17(21)12-2-3-14-15(5-12)23-10-22-14/h1-5,7,13H,8-10H2.
What are the key properties of 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 323.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).