N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C27H28N4O6 — CID 155431392

About N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431392) has the molecular formula C27H28N4O6 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 155431392
• Molecular Formula: C27H28N4O6
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.20
• IUPAC Name: N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: COc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NO)cc3)cc12
• InChI: InChI=1S/C27H28N4O6/c1-27(2,35)17-9-10-22(37-4)18(11-17)20-14-31(3)26(34)23-19(20)12-21(29-23)25(33)28-13-15-5-7-16(8-6-15)24(32)30-36/h5-12,14,29,35-36H,13H2,1-4H3,(H,28,33)(H,30,32)
• InChIKey: PWKNXFTXCDBTFU-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 145.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431392) is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NO)cc3)cc12.

What is the InChIKey of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is PWKNXFTXCDBTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6/c1-27(2,35)17-9-10-22(37-4)18(11-17)20-14-31(3)26(34)23-19(20)12-21(29-23)25(33)28-13-15-5-7-16(8-6-15)24(32)30-36/h5-12,14,29,35-36H,13H2,1-4H3,(H,28,33)(H,30,32).

What are the key properties of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).