N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H20N2O4 — CID 17466838

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 17466838) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• PubChem CID: 17466838
• Molecular Formula: C18H20N2O4
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.14
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)C2Oc3ccccc3OC2C)c(=O)[nH]1
• InChI: InChI=1S/C18H20N2O4/c1-10-8-11(2)20-17(21)13(10)9-19-18(22)16-12(3)23-14-6-4-5-7-15(14)24-16/h4-8,12,16H,9H2,1-3H3,(H,19,22)(H,20,21)
• InChIKey: CYGCCHLAGHFQSI-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 80.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 17466838) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1cc(C)c(CNC(=O)C2Oc3ccccc3OC2C)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The InChIKey is CYGCCHLAGHFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-10-8-11(2)20-17(21)13(10)9-19-18(22)16-12(3)23-14-6-4-5-7-15(14)24-16/h4-8,12,16H,9H2,1-3H3,(H,19,22)(H,20,21).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 17466838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).