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

C18H15N3O3 — CID 24950532

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C18H15N3O3/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)21-18(20)13(12)10-19/h3-9H,1-2H3,(H2,20,21)
InChIKeySISSERAVJMOIEL-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.48
Rot. Bonds4

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

2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 24950532) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID24950532
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1OC
InChIInChI=1S/C18H15N3O3/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)21-18(20)13(12)10-19/h3-9H,1-2H3,(H2,20,21)
InChIKeySISSERAVJMOIEL-UHFFFAOYSA-N
XLogP3.48
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile (CID 24950532) is 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is SISSERAVJMOIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)21-18(20)13(12)10-19/h3-9H,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 24950532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).