2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile

C16H14N4O3 — CID 722770

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1OC
InChIInChI=1S/C16H14N4O3/c1-21-12-5-4-9(6-13(12)22-2)14-10(7-17)15(19)20-16(23-3)11(14)8-18/h4-6H,1-3H3,(H2,19,20)
InChIKeyFTFDSLXQFOOJNO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile

2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile (PubChem CID 722770) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
PubChem CID722770
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1OC
InChIInChI=1S/C16H14N4O3/c1-21-12-5-4-9(6-13(12)22-2)14-10(7-17)15(19)20-16(23-3)11(14)8-18/h4-6H,1-3H3,(H2,19,20)
InChIKeyFTFDSLXQFOOJNO-UHFFFAOYSA-N
XLogP2.10
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile (CID 722770) is 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The InChIKey is FTFDSLXQFOOJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-21-12-5-4-9(6-13(12)22-2)14-10(7-17)15(19)20-16(23-3)11(14)8-18/h4-6H,1-3H3,(H2,19,20).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile has a molecular weight of 310.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile is sourced from PubChem (CID 722770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).