2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

C42H29N7O6 — CID 166964969

About 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 166964969) has the molecular formula C42H29N7O6 and a molecular weight of 727.74 g/mol. Its IUPAC name is 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 166964969
• Molecular Formula: C42H29N7O6
• Molecular Weight: 727.74 g/mol
• Exact Mass: 727.22
• IUPAC Name: 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1
• InChI: InChI=1S/C42H29N7O6/c1-23-2-16-35(44-21-23)46-37(50)26-7-14-31-33(19-26)41(54)48(39(31)52)29-10-3-24(4-11-29)18-25-5-12-30(13-6-25)49-40(53)32-15-8-27(20-34(32)42(49)55)38(51)47-36-17-9-28(43)22-45-36/h2-17,19-22H,18,43H2,1H3,(H,44,46,50)(H,45,47,51)
• InChIKey: DJHKLRUNMSCGKU-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 184.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.74
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (CID 166964969) is 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1.

What is the InChIKey of 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is DJHKLRUNMSCGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N7O6/c1-23-2-16-35(44-21-23)46-37(50)26-7-14-31-33(19-26)41(54)48(39(31)52)29-10-3-24(4-11-29)18-25-5-12-30(13-6-25)49-40(53)32-15-8-27(20-34(32)42(49)55)38(51)47-36-17-9-28(43)22-45-36/h2-17,19-22H,18,43H2,1H3,(H,44,46,50)(H,45,47,51).

What are the key properties of 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?

2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 727.74 g/mol, XLogP of 6.06, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 166964969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).