N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane

C26H25N3O5 — CID 172566180

About N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane

N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane (PubChem CID 172566180) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane.

Molecular Properties

• Compound Name: N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane
• PubChem CID: 172566180
• Molecular Formula: C26H25N3O5
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.18
• IUPAC Name: N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane
• SMILES: CC1C[C@@H]1C.Nc1cccc2c1C(=O)C1(NC(=O)c3cccc(=O)[nH]3)c3ccccc3OC21O
• InChI: InChI=1S/C21H15N3O5.C5H10/c22-13-7-3-6-12-17(13)18(26)20(24-19(27)14-8-4-10-16(25)23-14)11-5-1-2-9-15(11)29-21(12,20)28;1-4-3-5(4)2/h1-10,28H,22H2,(H,23,25)(H,24,27);4-5H,3H2,1-2H3/t;4-,5?/m.0/s1
• InChIKey: NROKVZWXEFAXCN-UVFNPHMQSA-N
• XLogP: 2.68
• TPSA: 134.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	2.68
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-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane?

The IUPAC name of N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane (CID 172566180) is N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane.

What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane?

The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane is CC1C[C@@H]1C.Nc1cccc2c1C(=O)C1(NC(=O)c3cccc(=O)[nH]3)c3ccccc3OC21O.

What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane?

The InChIKey is NROKVZWXEFAXCN-UVFNPHMQSA-N. The full InChI is InChI=1S/C21H15N3O5.C5H10/c22-13-7-3-6-12-17(13)18(26)20(24-19(27)14-8-4-10-16(25)23-14)11-5-1-2-9-15(11)29-21(12,20)28;1-4-3-5(4)2/h1-10,28H,22H2,(H,23,25)(H,24,27);4-5H,3H2,1-2H3/t;4-,5?/m.0/s1.

What are the key properties of N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane?

N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane has a molecular weight of 459.50 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl)-6-oxo-1H-pyridine-2-carboxamide;(1S)-1,2-dimethylcyclopropane is sourced from PubChem (CID 172566180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).