3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile

C16H22N2O2 — CID 176983093

IUPAC3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(OC2C(C)(C)CC2(C)C)c1C
InChIInChI=1S/C16H22N2O2/c1-10-12(8-18-11(7-17)13(10)19-6)20-14-15(2,3)9-16(14,4)5/h8,14H,9H2,1-6H3
InChIKeyZHYBAYWXTQCZCD-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.47
Rot. Bonds3

About 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile

3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile (PubChem CID 176983093) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
PubChem CID176983093
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(OC2C(C)(C)CC2(C)C)c1C
InChIInChI=1S/C16H22N2O2/c1-10-12(8-18-11(7-17)13(10)19-6)20-14-15(2,3)9-16(14,4)5/h8,14H,9H2,1-6H3
InChIKeyZHYBAYWXTQCZCD-UHFFFAOYSA-N
XLogP3.47
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile
CID 162731517
2,3-dimethyl-4-(2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile
CID 176984263
3-fluoro-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
CID 176983892
5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 176986397
3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile
CID 176986469
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
CID 155138707
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
5-cyclopropyl-3-methoxypyridine-2-carbonitrile
CID 122505651
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
4-methoxy-5,6-dimethylpyridine-3-carbonitrile
CID 163496494

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
The IUPAC name of 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile (CID 176983093) is 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
The canonical SMILES for 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile is COc1c(C#N)ncc(OC2C(C)(C)CC2(C)C)c1C.
What is the InChIKey of 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
The InChIKey is ZHYBAYWXTQCZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-12(8-18-11(7-17)13(10)19-6)20-14-15(2,3)9-16(14,4)5/h8,14H,9H2,1-6H3.
What are the key properties of 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile?
3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 176983093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).