6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile

C15H14N2O2 — CID 82481944

IUPAC6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(COc2ccccc2C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H14N2O2/c1-10-5-3-4-6-14(10)19-9-12-7-11(2)17-15(18)13(12)8-16/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyXIIWGNGYZCOUJV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.44
Rot. Bonds3

About 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82481944) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82481944
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(COc2ccccc2C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H14N2O2/c1-10-5-3-4-6-14(10)19-9-12-7-11(2)17-15(18)13(12)8-16/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyXIIWGNGYZCOUJV-UHFFFAOYSA-N
XLogP2.44
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82482516
4-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586557
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258
6-methyl-4-[2-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586968
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585130
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
4-[4-[(2-bromophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586570
4-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584694
4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584640
5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
CID 150348416
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 82481944) is 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(COc2ccccc2C)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XIIWGNGYZCOUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-5-3-4-6-14(10)19-9-12-7-11(2)17-15(18)13(12)8-16/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82481944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).