1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

C16H16FN3O — CID 82146528

IUPAC1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(CCCCN)c1=O
InChIInChI=1S/C16H16FN3O/c17-14-6-3-12(4-7-14)15-8-5-13(11-19)16(21)20(15)10-2-1-9-18/h3-8H,1-2,9-10,18H2
InChIKeyOXVCHPHGLRMDNH-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82146528) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82146528
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(CCCCN)c1=O
InChIInChI=1S/C16H16FN3O/c17-14-6-3-12(4-7-14)15-8-5-13(11-19)16(21)20(15)10-2-1-9-18/h3-8H,1-2,9-10,18H2
InChIKeyOXVCHPHGLRMDNH-UHFFFAOYSA-N
XLogP2.26
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-(3-aminopropyl)-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82146491
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
CID 82147336
2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N-pyridin-2-ylacetamide
CID 18524663
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (CID 82146528) is 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)n(CCCCN)c1=O.
What is the InChIKey of 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is OXVCHPHGLRMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-6-3-12(4-7-14)15-8-5-13(11-19)16(21)20(15)10-2-1-9-18/h3-8H,1-2,9-10,18H2.
What are the key properties of 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82146528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).