6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile

C16H15ClN2O2 — CID 82519215

IUPAC6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
SMILESCOCCCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-21-10-2-9-19-15(8-5-13(11-18)16(19)20)12-3-6-14(17)7-4-12/h3-8H,2,9-10H2,1H3
InChIKeyHOVHBMVRWQAPGQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.08
Rot. Bonds5

About 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile

6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82519215) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
PubChem CID82519215
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
SMILESCOCCCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-21-10-2-9-19-15(8-5-13(11-18)16(19)20)12-3-6-14(17)7-4-12/h3-8H,2,9-10H2,1H3
InChIKeyHOVHBMVRWQAPGQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519227
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile (CID 82519215) is 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile is COCCCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is HOVHBMVRWQAPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-10-2-9-19-15(8-5-13(11-18)16(19)20)12-3-6-14(17)7-4-12/h3-8H,2,9-10H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 302.76 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82519215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).