1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile

C13H9N3O2 — CID 164889097

IUPAC1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2ccco2)c(C#N)c(=O)n1CC#N
InChIInChI=1S/C13H9N3O2/c1-9-7-10(12-3-2-6-18-12)11(8-15)13(17)16(9)5-4-14/h2-3,6-7H,5H2,1H3
InChIKeyXURGDOUCKZUDAB-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.81
Rot. Bonds2

About 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile

1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 164889097) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID164889097
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2ccco2)c(C#N)c(=O)n1CC#N
InChIInChI=1S/C13H9N3O2/c1-9-7-10(12-3-2-6-18-12)11(8-15)13(17)16(9)5-4-14/h2-3,6-7H,5H2,1H3
InChIKeyXURGDOUCKZUDAB-UHFFFAOYSA-N
XLogP1.81
TPSA82.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile (CID 164889097) is 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile is Cc1cc(-c2ccco2)c(C#N)c(=O)n1CC#N.
What is the InChIKey of 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XURGDOUCKZUDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c1-9-7-10(12-3-2-6-18-12)11(8-15)13(17)16(9)5-4-14/h2-3,6-7H,5H2,1H3.
What are the key properties of 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 239.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 164889097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).