N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C29H25N5O4 — CID 155431684

About N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431684) has the molecular formula C29H25N5O4 and a molecular weight of 507.55 g/mol. Its IUPAC name is N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 155431684
• Molecular Formula: C29H25N5O4
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: COc1cccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1
• InChI: InChI=1S/C29H25N5O4/c1-34-16-22(18-6-5-7-20(14-18)38-2)21-15-25(32-26(21)29(34)37)28(36)31-19-12-10-17(11-13-19)27(35)33-24-9-4-3-8-23(24)30/h3-16,32H,30H2,1-2H3,(H,31,36)(H,33,35)
• InChIKey: VAZXYEYQKJXZOZ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 131.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431684) is N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COc1cccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1.

What is the InChIKey of N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is VAZXYEYQKJXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O4/c1-34-16-22(18-6-5-7-20(14-18)38-2)21-15-25(32-26(21)29(34)37)28(36)31-19-12-10-17(11-13-19)27(35)33-24-9-4-3-8-23(24)30/h3-16,32H,30H2,1-2H3,(H,31,36)(H,33,35).

What are the key properties of N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).