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

C18H20N2O2 — CID 168585141

IUPAC6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(OCCC(C)C)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-12(2)8-9-22-15-6-4-14(5-7-15)16-10-13(3)20-18(21)17(16)11-19/h4-7,10,12H,8-9H2,1-3H3,(H,20,21)
InChIKeyJGWCDWLNYFOTDT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.65
Rot. Bonds5

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

6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585141) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585141
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(OCCC(C)C)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-12(2)8-9-22-15-6-4-14(5-7-15)16-10-13(3)20-18(21)17(16)11-19/h4-7,10,12H,8-9H2,1-3H3,(H,20,21)
InChIKeyJGWCDWLNYFOTDT-UHFFFAOYSA-N
XLogP3.65
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585236
6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585756
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
4-[4-[(2-bromophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586570
N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586858
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[4-(5-cyano-2-pyridinyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585620
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
6-methyl-4-(2-methyl-4-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585037
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 168585141) is 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(OCCC(C)C)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JGWCDWLNYFOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)8-9-22-15-6-4-14(5-7-15)16-10-13(3)20-18(21)17(16)11-19/h4-7,10,12H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).