6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

C24H18N2O — CID 10641600

IUPAC6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc3cccccc2-3)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C24H18N2O/c1-16-8-10-18(11-9-16)21-14-23(26-24(27-2)22(21)15-25)20-13-12-17-6-4-3-5-7-19(17)20/h3-14H,1-2H3
InChIKeyCSHNLJAPQGFLRP-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.71
Rot. Bonds3

About 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 10641600) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID10641600
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc3cccccc2-3)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C24H18N2O/c1-16-8-10-18(11-9-16)21-14-23(26-24(27-2)22(21)15-25)20-13-12-17-6-4-3-5-7-19(17)20/h3-14H,1-2H3
InChIKeyCSHNLJAPQGFLRP-UHFFFAOYSA-N
XLogP5.71
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluorophenyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 165017250
6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 164955818
4-(2-hydroxyphenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 135692578
4-(4-chlorophenyl)-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-2-methoxypyridine-3-carbonitrile
CID 135753499
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564

Frequently Asked Questions

What is the IUPAC name of 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 10641600) is 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is COc1nc(-c2ccc3cccccc2-3)cc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is CSHNLJAPQGFLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-16-8-10-18(11-9-16)21-14-23(26-24(27-2)22(21)15-25)20-13-12-17-6-4-3-5-7-19(17)20/h3-14H,1-2H3.
What are the key properties of 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10641600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).