4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H18N2O2 — CID 168585236

IUPAC4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCC(C)Oc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-4-12(3)21-14-7-5-13(6-8-14)15-9-11(2)19-17(20)16(15)10-18/h5-9,12H,4H2,1-3H3,(H,19,20)
InChIKeyODNWLXHGUQTREC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.40
Rot. Bonds4

About 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585236) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585236
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCC(C)Oc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-4-12(3)21-14-7-5-13(6-8-14)15-9-11(2)19-17(20)16(15)10-18/h5-9,12H,4H2,1-3H3,(H,19,20)
InChIKeyODNWLXHGUQTREC-UHFFFAOYSA-N
XLogP3.40
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585141
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585756
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
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
methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586114
N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586858
4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82639427
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585236) is 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCC(C)Oc1ccc(-c2cc(C)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ODNWLXHGUQTREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-4-12(3)21-14-7-5-13(6-8-14)15-9-11(2)19-17(20)16(15)10-18/h5-9,12H,4H2,1-3H3,(H,19,20).
What are the key properties of 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).