2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

C22H21N3O4 — CID 70111563

IUPAC2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C22H21N3O4/c1-26-15-7-5-13(6-8-15)16-11-18(25-22(24)17(16)12-23)14-9-19(27-2)21(29-4)20(10-14)28-3/h5-11H,1-4H3,(H2,24,25)
InChIKeyZJSUPTVOLNCJNJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.90
Rot. Bonds6

About 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 70111563) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID70111563
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)c2C#N)cc1
InChIInChI=1S/C22H21N3O4/c1-26-15-7-5-13(6-8-15)16-11-18(25-22(24)17(16)12-23)14-9-19(27-2)21(29-4)20(10-14)28-3/h5-11H,1-4H3,(H2,24,25)
InChIKeyZJSUPTVOLNCJNJ-UHFFFAOYSA-N
XLogP3.90
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3371344
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (CID 70111563) is 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ZJSUPTVOLNCJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-26-15-7-5-13(6-8-15)16-11-18(25-22(24)17(16)12-23)14-9-19(27-2)21(29-4)20(10-14)28-3/h5-11H,1-4H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 391.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 70111563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).