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

C15H12N4O2 — CID 677936

IUPAC2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1
InChIInChI=1S/C15H12N4O2/c1-20-10-5-3-9(4-6-10)13-11(7-16)14(18)19-15(21-2)12(13)8-17/h3-6H,1-2H3,(H2,18,19)
InChIKeyPUICNMNVAMJDRY-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.09
Rot. Bonds3

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

2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 677936) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID677936
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1
InChIInChI=1S/C15H12N4O2/c1-20-10-5-3-9(4-6-10)13-11(7-16)14(18)19-15(21-2)12(13)8-17/h3-6H,1-2H3,(H2,18,19)
InChIKeyPUICNMNVAMJDRY-UHFFFAOYSA-N
XLogP2.09
TPSA104.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (CID 677936) is 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1.
What is the InChIKey of 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is PUICNMNVAMJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-20-10-5-3-9(4-6-10)13-11(7-16)14(18)19-15(21-2)12(13)8-17/h3-6H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 280.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 677936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).