N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide

C20H25N5O3 — CID 22389313

About N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 22389313) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide
• PubChem CID: 22389313
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide
• SMILES: O=C(NC1CC2CCN(C2)C1)c1cc2oc(C(=O)N3CCNCC3)cc2cn1
• InChI: InChI=1S/C20H25N5O3/c26-19(23-15-7-13-1-4-24(11-13)12-15)16-9-17-14(10-22-16)8-18(28-17)20(27)25-5-2-21-3-6-25/h8-10,13,15,21H,1-7,11-12H2,(H,23,26)
• InChIKey: OKYHHLYNTFPSLI-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 90.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide?

The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide (CID 22389313) is N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide.

What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide?

The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide is O=C(NC1CC2CCN(C2)C1)c1cc2oc(C(=O)N3CCNCC3)cc2cn1.

What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide?

The InChIKey is OKYHHLYNTFPSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-19(23-15-7-13-1-4-24(11-13)12-15)16-9-17-14(10-22-16)8-18(28-17)20(27)25-5-2-21-3-6-25/h8-10,13,15,21H,1-7,11-12H2,(H,23,26).

What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide?

N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-2-(piperazine-1-carbonyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22389313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).