1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile

C19H22N2O2 — CID 82517769

IUPAC1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
SMILESCCCCn1c(-c2ccc(OCCC)cc2)ccc(C#N)c1=O
InChIInChI=1S/C19H22N2O2/c1-3-5-12-21-18(11-8-16(14-20)19(21)22)15-6-9-17(10-7-15)23-13-4-2/h6-11H,3-5,12-13H2,1-2H3
InChIKeySUURAOZDWALDCW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.98
Rot. Bonds7

About 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile

1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile (PubChem CID 82517769) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
PubChem CID82517769
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
SMILESCCCCn1c(-c2ccc(OCCC)cc2)ccc(C#N)c1=O
InChIInChI=1S/C19H22N2O2/c1-3-5-12-21-18(11-8-16(14-20)19(21)22)15-6-9-17(10-7-15)23-13-4-2/h6-11H,3-5,12-13H2,1-2H3
InChIKeySUURAOZDWALDCW-UHFFFAOYSA-N
XLogP3.98
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82518797
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile (CID 82517769) is 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile is CCCCn1c(-c2ccc(OCCC)cc2)ccc(C#N)c1=O.
What is the InChIKey of 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is SUURAOZDWALDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-5-12-21-18(11-8-16(14-20)19(21)22)15-6-9-17(10-7-15)23-13-4-2/h6-11H,3-5,12-13H2,1-2H3.
What are the key properties of 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile?
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82517769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).