2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile

C19H19N3O4S — CID 91814936

IUPAC2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccccc3C#N)C2)cc(=O)n1C1CC1
InChIInChI=1S/C19H19N3O4S/c1-13-8-16(9-19(23)22(13)15-6-7-15)26-17-11-21(12-17)27(24,25)18-5-3-2-4-14(18)10-20/h2-5,8-9,15,17H,6-7,11-12H2,1H3
InChIKeyFCXJFVVSBHDSQX-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.82
Rot. Bonds5

About 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile

2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile (PubChem CID 91814936) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
PubChem CID91814936
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccccc3C#N)C2)cc(=O)n1C1CC1
InChIInChI=1S/C19H19N3O4S/c1-13-8-16(9-19(23)22(13)15-6-7-15)26-17-11-21(12-17)27(24,25)18-5-3-2-4-14(18)10-20/h2-5,8-9,15,17H,6-7,11-12H2,1H3
InChIKeyFCXJFVVSBHDSQX-UHFFFAOYSA-N
XLogP1.82
TPSA92.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile with MolForge

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Related Compounds

1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156132
1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121156106
1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156181
N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
CID 121155892
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)benzonitrile
CID 66371644
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzonitrile
CID 102680906
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile (CID 91814936) is 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile is Cc1cc(OC2CN(S(=O)(=O)c3ccccc3C#N)C2)cc(=O)n1C1CC1.
What is the InChIKey of 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile?
The InChIKey is FCXJFVVSBHDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-8-16(9-19(23)22(13)15-6-7-15)26-17-11-21(12-17)27(24,25)18-5-3-2-4-14(18)10-20/h2-5,8-9,15,17H,6-7,11-12H2,1H3.
What are the key properties of 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile?
2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile has a molecular weight of 385.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 91814936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).