N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C29H35N5O3 — CID 71715865

About N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715865) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 71715865
• Molecular Formula: C29H35N5O3
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.27
• IUPAC Name: N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: CN1CCN(Cc2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cc2)CC1
• InChI: InChI=1S/C29H35N5O3/c1-32-12-14-33(15-13-32)20-21-2-4-22(5-3-21)28(36)34-10-7-29(8-11-34)17-24(29)18-31-27(35)25-16-23-6-9-30-19-26(23)37-25/h2-6,9,16,19,24H,7-8,10-15,17-18,20H2,1H3,(H,31,35)
• InChIKey: VXVXEMRSYHSMHP-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 81.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715865) is N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CN1CCN(Cc2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cc2)CC1.

What is the InChIKey of N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is VXVXEMRSYHSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-32-12-14-33(15-13-32)20-21-2-4-22(5-3-21)28(36)34-10-7-29(8-11-34)17-24(29)18-31-27(35)25-16-23-6-9-30-19-26(23)37-25/h2-6,9,16,19,24H,7-8,10-15,17-18,20H2,1H3,(H,31,35).

What are the key properties of N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).