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

C21H17N3O5 — CID 109164809

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

N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide (PubChem CID 109164809) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 109164809
• Molecular Formula: C21H17N3O5
• Molecular Weight: 391.38 g/mol
• Exact Mass: 391.12
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2ccc3c(c2)OCCO3)nc1
• InChI: InChI=1S/C21H17N3O5/c25-21(24-15-3-5-17-19(10-15)29-12-28-17)13-1-6-20(22-11-13)23-14-2-4-16-18(9-14)27-8-7-26-16/h1-6,9-11H,7-8,12H2,(H,22,23)(H,24,25)
• InChIKey: BZGZMXFJAZADCW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 90.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.38
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide (CID 109164809) is N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2ccc3c(c2)OCCO3)nc1.

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

The InChIKey is BZGZMXFJAZADCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-21(24-15-3-5-17-19(10-15)29-12-28-17)13-1-6-20(22-11-13)23-14-2-4-16-18(9-14)27-8-7-26-16/h1-6,9-11H,7-8,12H2,(H,22,23)(H,24,25).

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

N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109164809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).