4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C24H25N7O2 — CID 175501423

About 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175501423) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 175501423
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccc(Nc3cc(Nc4cccc5ccoc45)c(C(N)=O)cn3)nc2)CC1
• InChI: InChI=1S/C24H25N7O2/c1-30-8-10-31(11-9-30)17-5-6-21(26-14-17)29-22-13-20(18(15-27-22)24(25)32)28-19-4-2-3-16-7-12-33-23(16)19/h2-7,12-15H,8-11H2,1H3,(H2,25,32)(H2,26,27,28,29)
• InChIKey: WNCIQLUZLJSDFI-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 112.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 175501423) is 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CN1CCN(c2ccc(Nc3cc(Nc4cccc5ccoc45)c(C(N)=O)cn3)nc2)CC1.

What is the InChIKey of 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is WNCIQLUZLJSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-30-8-10-31(11-9-30)17-5-6-21(26-14-17)29-22-13-20(18(15-27-22)24(25)32)28-19-4-2-3-16-7-12-33-23(16)19/h2-7,12-15H,8-11H2,1H3,(H2,25,32)(H2,26,27,28,29).

What are the key properties of 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175501423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).