2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile

C18H18N4O3 — CID 8615264

IUPAC2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(OCC)c2C#N)cc1OC
InChIInChI=1S/C18H18N4O3/c1-4-24-14-7-6-11(8-15(14)23-3)16-12(9-19)17(21)22-18(25-5-2)13(16)10-20/h6-8H,4-5H2,1-3H3,(H2,21,22)
InChIKeySVVNXUSDFHDRDB-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.88
Rot. Bonds6

About 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 8615264) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID8615264
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(OCC)c2C#N)cc1OC
InChIInChI=1S/C18H18N4O3/c1-4-24-14-7-6-11(8-15(14)23-3)16-12(9-19)17(21)22-18(25-5-2)13(16)10-20/h6-8H,4-5H2,1-3H3,(H2,21,22)
InChIKeySVVNXUSDFHDRDB-UHFFFAOYSA-N
XLogP2.88
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile (CID 8615264) is 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile is CCOc1ccc(-c2c(C#N)c(N)nc(OCC)c2C#N)cc1OC.
What is the InChIKey of 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is SVVNXUSDFHDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-4-24-14-7-6-11(8-15(14)23-3)16-12(9-19)17(21)22-18(25-5-2)13(16)10-20/h6-8H,4-5H2,1-3H3,(H2,21,22).
What are the key properties of 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 338.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 8615264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).