1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H14N2O2 — CID 82120124

IUPAC1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C15H14N2O2/c1-10-8-11(2)17(15(18)12(10)9-16)13-6-4-5-7-14(13)19-3/h4-8H,1-3H3
InChIKeyOWQOPTHTXVFITH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.33
Rot. Bonds2

About 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 82120124) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID82120124
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1-n1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C15H14N2O2/c1-10-8-11(2)17(15(18)12(10)9-16)13-6-4-5-7-14(13)19-3/h4-8H,1-3H3
InChIKeyOWQOPTHTXVFITH-UHFFFAOYSA-N
XLogP2.33
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 82120124) is 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is COc1ccccc1-n1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is OWQOPTHTXVFITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-8-11(2)17(15(18)12(10)9-16)13-6-4-5-7-14(13)19-3/h4-8H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82120124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).