2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile

C20H19N3O4 — CID 135990715

IUPAC2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3cc(C)oc3C)nc(N)c2C#N)cc(OC)c1O
InChIInChI=1S/C20H19N3O4/c1-10-5-13(11(2)27-10)16-8-14(15(9-21)20(22)23-16)12-6-17(25-3)19(24)18(7-12)26-4/h5-8,24H,1-4H3,(H2,22,23)
InChIKeyVLVJOJRTWDIDFS-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.80
Rot. Bonds4

About 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 135990715) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID135990715
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3cc(C)oc3C)nc(N)c2C#N)cc(OC)c1O
InChIInChI=1S/C20H19N3O4/c1-10-5-13(11(2)27-10)16-8-14(15(9-21)20(22)23-16)12-6-17(25-3)19(24)18(7-12)26-4/h5-8,24H,1-4H3,(H2,22,23)
InChIKeyVLVJOJRTWDIDFS-UHFFFAOYSA-N
XLogP3.80
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile (CID 135990715) is 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3cc(C)oc3C)nc(N)c2C#N)cc(OC)c1O.
What is the InChIKey of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is VLVJOJRTWDIDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-10-5-13(11(2)27-10)16-8-14(15(9-21)20(22)23-16)12-6-17(25-3)19(24)18(7-12)26-4/h5-8,24H,1-4H3,(H2,22,23).
What are the key properties of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135990715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).