3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile

C17H18N2O — CID 62920781

IUPAC3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCc1cc(OCc2cccnc2C#N)ccc1C(C)C
InChIInChI=1S/C17H18N2O/c1-12(2)16-7-6-15(9-13(16)3)20-11-14-5-4-8-19-17(14)10-18/h4-9,12H,11H2,1-3H3
InChIKeyCXJYPSXBDRHTSK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.96
Rot. Bonds4

About 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile

3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 62920781) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID62920781
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCc1cc(OCc2cccnc2C#N)ccc1C(C)C
InChIInChI=1S/C17H18N2O/c1-12(2)16-7-6-15(9-13(16)3)20-11-14-5-4-8-19-17(14)10-18/h4-9,12H,11H2,1-3H3
InChIKeyCXJYPSXBDRHTSK-UHFFFAOYSA-N
XLogP3.96
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 163255226
2-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688246
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
4-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688342
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
[4-[(2-cyano-3-pyridinyl)methoxy]-2-fluorophenyl]boronic acid
CID 65203522
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
CID 43367430
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 62893586

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile (CID 62920781) is 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile is Cc1cc(OCc2cccnc2C#N)ccc1C(C)C.
What is the InChIKey of 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is CXJYPSXBDRHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)16-7-6-15(9-13(16)3)20-11-14-5-4-8-19-17(14)10-18/h4-9,12H,11H2,1-3H3.
What are the key properties of 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62920781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).