5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C16H12N4O — CID 10446136

IUPAC5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H12N4O/c1-11-15(8-13(9-17)16(21)19-11)12-2-4-14(5-3-12)20-7-6-18-10-20/h2-8,10H,1H3,(H,19,21)
InChIKeyKWFAYMFYKQGTML-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.41
Rot. Bonds2

About 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10446136) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10446136
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H12N4O/c1-11-15(8-13(9-17)16(21)19-11)12-2-4-14(5-3-12)20-7-6-18-10-20/h2-8,10H,1H3,(H,19,21)
InChIKeyKWFAYMFYKQGTML-UHFFFAOYSA-N
XLogP2.41
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 10446136) is 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KWFAYMFYKQGTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-15(8-13(9-17)16(21)19-11)12-2-4-14(5-3-12)20-7-6-18-10-20/h2-8,10H,1H3,(H,19,21).
What are the key properties of 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10446136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).