2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile

C17H16N4O4 — CID 2731102

IUPAC2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc(OC)c2C#N)cc(OC)c1OC
InChIInChI=1S/C17H16N4O4/c1-22-12-5-9(6-13(23-2)15(12)24-3)14-10(7-18)16(20)21-17(25-4)11(14)8-19/h5-6H,1-4H3,(H2,20,21)
InChIKeyGZOMLBCZNVAPTI-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 2731102) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID2731102
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc(OC)c2C#N)cc(OC)c1OC
InChIInChI=1S/C17H16N4O4/c1-22-12-5-9(6-13(23-2)15(12)24-3)14-10(7-18)16(20)21-17(25-4)11(14)8-19/h5-6H,1-4H3,(H2,20,21)
InChIKeyGZOMLBCZNVAPTI-UHFFFAOYSA-N
XLogP2.11
TPSA123.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile (CID 2731102) is 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile is COc1cc(-c2c(C#N)c(N)nc(OC)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is GZOMLBCZNVAPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-22-12-5-9(6-13(23-2)15(12)24-3)14-10(7-18)16(20)21-17(25-4)11(14)8-19/h5-6H,1-4H3,(H2,20,21).
What are the key properties of 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 340.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2731102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).