2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

C20H18N4O2 — CID 856325

IUPAC2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C20H18N4O2/c1-25-18-8-5-13(9-19(18)26-2)15-10-17(24-20(23)16(15)11-21)12-3-6-14(22)7-4-12/h3-10H,22H2,1-2H3,(H2,23,24)
InChIKeyYEGDJFAAAMWXCR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.47
Rot. Bonds4

About 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 856325) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID856325
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C20H18N4O2/c1-25-18-8-5-13(9-19(18)26-2)15-10-17(24-20(23)16(15)11-21)12-3-6-14(22)7-4-12/h3-10H,22H2,1-2H3,(H2,23,24)
InChIKeyYEGDJFAAAMWXCR-UHFFFAOYSA-N
XLogP3.47
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile (CID 856325) is 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YEGDJFAAAMWXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-18-8-5-13(9-19(18)26-2)15-10-17(24-20(23)16(15)11-21)12-3-6-14(22)7-4-12/h3-10H,22H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 856325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).