N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide

C20H23N3O4 — CID 139348148

About N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide

N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139348148) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
• PubChem CID: 139348148
• Molecular Formula: C20H23N3O4
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.17
• IUPAC Name: N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
• SMILES: CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc3c(c2)OCCO3)ccn1
• InChI: InChI=1S/C20H23N3O4/c1-20(2,3)23-19(25)15-12-14(6-7-21-15)22-18(24)11-13-4-5-16-17(10-13)27-9-8-26-16/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)(H,21,22,24)
• InChIKey: GQYZYWSCRDVUMK-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide?

The IUPAC name of N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide (CID 139348148) is N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide?

The canonical SMILES for N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc3c(c2)OCCO3)ccn1.

What is the InChIKey of N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide?

The InChIKey is GQYZYWSCRDVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(2,3)23-19(25)15-12-14(6-7-21-15)22-18(24)11-13-4-5-16-17(10-13)27-9-8-26-16/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,25)(H,21,22,24).

What are the key properties of N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide?

N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139348148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).