6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile

C16H14N2O3 — CID 168586982

About 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586982) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile
• PubChem CID: 168586982
• Molecular Formula: C16H14N2O3
• Molecular Weight: 282.30 g/mol
• Exact Mass: 282.10
• IUPAC Name: 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile
• SMILES: Cc1cc(-c2cc3c(cc2C)OCCO3)c(C#N)c(=O)[nH]1
• InChI: InChI=1S/C16H14N2O3/c1-9-5-14-15(21-4-3-20-14)7-11(9)12-6-10(2)18-16(19)13(12)8-17/h5-7H,3-4H2,1-2H3,(H,18,19)
• InChIKey: KNLKQIJXQAWQSP-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 75.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.30
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?

The IUPAC name of 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 168586982) is 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?

The canonical SMILES for 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc3c(cc2C)OCCO3)c(C#N)c(=O)[nH]1.

What is the InChIKey of 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?

The InChIKey is KNLKQIJXQAWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-5-14-15(21-4-3-20-14)7-11(9)12-6-10(2)18-16(19)13(12)8-17/h5-7H,3-4H2,1-2H3,(H,18,19).

What are the key properties of 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile?

6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).