6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C18H14N4O2 — CID 122248812

IUPAC6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3c[nH]c4ccccc34)C2)nc1
InChIInChI=1S/C18H14N4O2/c19-7-12-5-6-17(21-8-12)24-13-10-22(11-13)18(23)15-9-20-16-4-2-1-3-14(15)16/h1-6,8-9,13,20H,10-11H2
InChIKeyXOEVCZLXEOSSFU-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.34
Rot. Bonds3

About 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248812) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248812
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)c3c[nH]c4ccccc34)C2)nc1
InChIInChI=1S/C18H14N4O2/c19-7-12-5-6-17(21-8-12)24-13-10-22(11-13)18(23)15-9-20-16-4-2-1-3-14(15)16/h1-6,8-9,13,20H,10-11H2
InChIKeyXOEVCZLXEOSSFU-UHFFFAOYSA-N
XLogP2.34
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2-benzoylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248635
6-[1-(2-phenoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248644
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251919
6-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248760
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile
CID 171512067
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248633
3-[(5-cyano-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248920

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248812) is 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)c3c[nH]c4ccccc34)C2)nc1.
What is the InChIKey of 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is XOEVCZLXEOSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-7-12-5-6-17(21-8-12)24-13-10-22(11-13)18(23)15-9-20-16-4-2-1-3-14(15)16/h1-6,8-9,13,20H,10-11H2.
What are the key properties of 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 318.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).