2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile

C19H15N3O3S — CID 122252682

IUPAC2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(S(=O)(=O)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C19H15N3O3S/c20-11-14-8-9-21-19(10-14)25-16-12-22(13-16)26(23,24)18-7-3-5-15-4-1-2-6-17(15)18/h1-10,16H,12-13H2
InChIKeySZYMGOSWEJGKEE-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.56
Rot. Bonds4

About 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile

2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile (PubChem CID 122252682) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
PubChem CID122252682
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(S(=O)(=O)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C19H15N3O3S/c20-11-14-8-9-21-19(10-14)25-16-12-22(13-16)26(23,24)18-7-3-5-15-4-1-2-6-17(15)18/h1-10,16H,12-13H2
InChIKeySZYMGOSWEJGKEE-UHFFFAOYSA-N
XLogP2.56
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252639
2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252600
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252604
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252630
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
CID 90627732
2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252663
2-[1-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252691
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252365
2-[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252420
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile (CID 122252682) is 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(S(=O)(=O)c3cccc4ccccc34)C2)c1.
What is the InChIKey of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
The InChIKey is SZYMGOSWEJGKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c20-11-14-8-9-21-19(10-14)25-16-12-22(13-16)26(23,24)18-7-3-5-15-4-1-2-6-17(15)18/h1-10,16H,12-13H2.
What are the key properties of 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile has a molecular weight of 365.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).