4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile

C17H18N2O — CID 63885020

IUPAC4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCc1ccc(C(C)C)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C17H18N2O/c1-12(2)15-5-4-13(3)17(9-15)20-11-14-6-7-19-16(8-14)10-18/h4-9,12H,11H2,1-3H3
InChIKeyACPXDWSOJQOLBK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.96
Rot. Bonds4

About 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile

4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63885020) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63885020
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCc1ccc(C(C)C)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C17H18N2O/c1-12(2)15-5-4-13(3)17(9-15)20-11-14-6-7-19-16(8-14)10-18/h4-9,12H,11H2,1-3H3
InChIKeyACPXDWSOJQOLBK-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

4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406
4-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884634
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882157

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile (CID 63885020) is 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile is Cc1ccc(C(C)C)cc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is ACPXDWSOJQOLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)15-5-4-13(3)17(9-15)20-11-14-6-7-19-16(8-14)10-18/h4-9,12H,11H2,1-3H3.
What are the key properties of 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
4-[(2-methyl-5-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 4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).