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

C22H21N3O3 — CID 109243048

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109243048) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
• PubChem CID: 109243048
• Molecular Formula: C22H21N3O3
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.16
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
• SMILES: Cc1cc(C)cc(NC(=O)c2cncc(Nc3ccc4c(c3)OCCO4)c2)c1
• InChI: InChI=1S/C22H21N3O3/c1-14-7-15(2)9-18(8-14)25-22(26)16-10-19(13-23-12-16)24-17-3-4-20-21(11-17)28-6-5-27-20/h3-4,7-13,24H,5-6H2,1-2H3,(H,25,26)
• InChIKey: PEMJJBJRJBZICV-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	4.47
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-(3,5-dimethylphenyl)pyridine-3-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 109243048) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide.

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

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(Nc3ccc4c(c3)OCCO4)c2)c1.

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

The InChIKey is PEMJJBJRJBZICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-7-15(2)9-18(8-14)25-22(26)16-10-19(13-23-12-16)24-17-3-4-20-21(11-17)28-6-5-27-20/h3-4,7-13,24H,5-6H2,1-2H3,(H,25,26).

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.47, 4 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-(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).