5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide

C23H23N3O3 — CID 109243700

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide (PubChem CID 109243700) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
• PubChem CID: 109243700
• Molecular Formula: C23H23N3O3
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.17
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
• SMILES: CCc1cccc(C)c1NC(=O)c1cncc(Nc2ccc3c(c2)OCCO3)c1
• InChI: InChI=1S/C23H23N3O3/c1-3-16-6-4-5-15(2)22(16)26-23(27)17-11-19(14-24-13-17)25-18-7-8-20-21(12-18)29-10-9-28-20/h4-8,11-14,25H,3,9-10H2,1-2H3,(H,26,27)
• InChIKey: MFBGCTJWKCRPEV-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide (CID 109243700) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1cncc(Nc2ccc3c(c2)OCCO3)c1.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide?

The InChIKey is MFBGCTJWKCRPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-16-6-4-5-15(2)22(16)26-23(27)17-11-19(14-24-13-17)25-18-7-8-20-21(12-18)29-10-9-28-20/h4-8,11-14,25H,3,9-10H2,1-2H3,(H,26,27).

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide?

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).