6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile

C22H20N2O2 — CID 168585556

IUPAC6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2Oc2ccccc2C(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C22H20N2O2/c1-14(2)16-8-4-6-10-20(16)26-21-11-7-5-9-17(21)18-12-15(3)24-22(25)19(18)13-23/h4-12,14H,1-3H3,(H,24,25)
InChIKeySXGRTJYTUHSRNF-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.14
Rot. Bonds4

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

6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 168585556) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID168585556
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2Oc2ccccc2C(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C22H20N2O2/c1-14(2)16-8-4-6-10-20(16)26-21-11-7-5-9-17(21)18-12-15(3)24-22(25)19(18)13-23/h4-12,14H,1-3H3,(H,24,25)
InChIKeySXGRTJYTUHSRNF-UHFFFAOYSA-N
XLogP5.14
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585987
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585130
4-[2-(2,2-difluoroethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585452
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
6-methyl-4-[2-(5-methylfuran-2-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587408
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
6-methyl-4-[2-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586968
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
CID 168586245
4-(4-tert-butyl-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585799
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile (CID 168585556) is 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2Oc2ccccc2C(C)C)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is SXGRTJYTUHSRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14(2)16-8-4-6-10-20(16)26-21-11-7-5-9-17(21)18-12-15(3)24-22(25)19(18)13-23/h4-12,14H,1-3H3,(H,24,25).
What are the key properties of 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 344.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).