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

C23H23N3O3 — CID 109243767

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109243767) 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-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
• PubChem CID: 109243767
• 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-propan-2-ylphenyl)pyridine-3-carboxamide
• SMILES: CC(C)c1ccccc1NC(=O)c1cncc(Nc2ccc3c(c2)OCCO3)c1
• InChI: InChI=1S/C23H23N3O3/c1-15(2)19-5-3-4-6-20(19)26-23(27)16-11-18(14-24-13-16)25-17-7-8-21-22(12-17)29-10-9-28-21/h3-8,11-15,25H,9-10H2,1-2H3,(H,26,27)
• InChIKey: CAJONTBIWHZISH-UHFFFAOYSA-N
• XLogP: 4.97
• 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	4.97
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-propan-2-ylphenyl)pyridine-3-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109243767) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

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

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1cncc(Nc2ccc3c(c2)OCCO3)c1.

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

The InChIKey is CAJONTBIWHZISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)19-5-3-4-6-20(19)26-23(27)16-11-18(14-24-13-16)25-17-7-8-21-22(12-17)29-10-9-28-21/h3-8,11-15,25H,9-10H2,1-2H3,(H,26,27).

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.97, 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-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).