N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C17H19N3O4 — CID 28902756

About N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 28902756) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 28902756
• Molecular Formula: C17H19N3O4
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.14
• IUPAC Name: N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
• SMILES: CC(C)(CO)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cn1
• InChI: InChI=1S/C17H19N3O4/c1-17(2,9-21)20-15-6-4-12(8-18-15)19-16(22)11-3-5-13-14(7-11)24-10-23-13/h3-8,21H,9-10H2,1-2H3,(H,18,20)(H,19,22)
• InChIKey: XRUCDEHUTBPWCJ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 92.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 28902756) is N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is CC(C)(CO)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cn1.

What is the InChIKey of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is XRUCDEHUTBPWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-17(2,9-21)20-15-6-4-12(8-18-15)19-16(22)11-3-5-13-14(7-11)24-10-23-13/h3-8,21H,9-10H2,1-2H3,(H,18,20)(H,19,22).

What are the key properties of N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?

N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 28902756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).