2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C16H12N4O — CID 21001907

IUPAC2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(-n3ccnc3)n2)cc1
InChIInChI=1S/C16H12N4O/c1-21-14-5-2-12(3-6-14)15-7-4-13(10-17)16(19-15)20-9-8-18-11-20/h2-9,11H,1H3
InChIKeyOENBSUHNSLEZKS-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.81
Rot. Bonds3

About 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 21001907) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID21001907
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(-n3ccnc3)n2)cc1
InChIInChI=1S/C16H12N4O/c1-21-14-5-2-12(3-6-14)15-7-4-13(10-17)16(19-15)20-9-8-18-11-20/h2-9,11H,1H3
InChIKeyOENBSUHNSLEZKS-UHFFFAOYSA-N
XLogP2.81
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-imidazol-1-yl-6-methylpyridine-3-carbonitrile
CID 58153486
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
4-(4-imidazol-1-ylphenyl)-N-(4-methoxyphenyl)-1,3-oxazol-2-amine
CID 58910566
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 21001906
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
3-chloro-2-imidazol-1-yl-7-methoxyquinoline
CID 90117535
6-(4-aminophenyl)-2-methoxypyridine-3-carbonitrile
CID 162439983
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 25249091
4-[6-(4-methoxyphenyl)-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 11695822

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 21001907) is 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(-n3ccnc3)n2)cc1.
What is the InChIKey of 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is OENBSUHNSLEZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-21-14-5-2-12(3-6-14)15-7-4-13(10-17)16(19-15)20-9-8-18-11-20/h2-9,11H,1H3.
What are the key properties of 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 21001907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).