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

C16H14N4O2 — CID 678594

IUPAC2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1
InChIInChI=1S/C16H14N4O2/c1-3-22-11-6-4-10(5-7-11)14-12(8-17)15(19)20-16(21-2)13(14)9-18/h4-7H,3H2,1-2H3,(H2,19,20)
InChIKeyNPBUHDNKIKSKML-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.48
Rot. Bonds4

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

2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile (PubChem CID 678594) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
PubChem CID678594
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1
InChIInChI=1S/C16H14N4O2/c1-3-22-11-6-4-10(5-7-11)14-12(8-17)15(19)20-16(21-2)13(14)9-18/h4-7H,3H2,1-2H3,(H2,19,20)
InChIKeyNPBUHDNKIKSKML-UHFFFAOYSA-N
XLogP2.48
TPSA104.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile (CID 678594) is 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile is CCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
The InChIKey is NPBUHDNKIKSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-3-22-11-6-4-10(5-7-11)14-12(8-17)15(19)20-16(21-2)13(14)9-18/h4-7H,3H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile?
2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile has a molecular weight of 294.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile is sourced from PubChem (CID 678594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).