2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile

C17H13N3O2 — CID 24950531

IUPAC2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1
InChIInChI=1S/C17H13N3O2/c1-21-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20)
InChIKeyQRKZDMYQKYYFOV-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.47
Rot. Bonds3

About 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 24950531) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID24950531
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1
InChIInChI=1S/C17H13N3O2/c1-21-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20)
InChIKeyQRKZDMYQKYYFOV-UHFFFAOYSA-N
XLogP3.47
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 24950531) is 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is QRKZDMYQKYYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-21-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20).
What are the key properties of 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 24950531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).