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

C25H24N4O5 — CID 155431678

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

N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431678) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 155431678
• Molecular Formula: C25H24N4O5
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cn1cc(-c2cccc(C(C)(C)O)c2)c2cc(C(=O)Nc3ccc(C(=O)NO)cc3)[nH]c2c1=O
• InChI: InChI=1S/C25H24N4O5/c1-25(2,33)16-6-4-5-15(11-16)19-13-29(3)24(32)21-18(19)12-20(27-21)23(31)26-17-9-7-14(8-10-17)22(30)28-34/h4-13,27,33-34H,1-3H3,(H,26,31)(H,28,30)
• InChIKey: RORLFTWWGNBJAE-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 136.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431678) is N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

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

The canonical SMILES for N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2cccc(C(C)(C)O)c2)c2cc(C(=O)Nc3ccc(C(=O)NO)cc3)[nH]c2c1=O.

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

The InChIKey is RORLFTWWGNBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-25(2,33)16-6-4-5-15(11-16)19-13-29(3)24(32)21-18(19)12-20(27-21)23(31)26-17-9-7-14(8-10-17)22(30)28-34/h4-13,27,33-34H,1-3H3,(H,26,31)(H,28,30).

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

N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).