1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride

C40H45ClF4N6O9 — CID 160532267

About 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride (PubChem CID 160532267) has the molecular formula C40H45ClF4N6O9 and a molecular weight of 865.28 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride
• PubChem CID: 160532267
• Molecular Formula: C40H45ClF4N6O9
• Molecular Weight: 865.28 g/mol
• Exact Mass: 864.29
• IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride
• SMILES: CNO.COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)N(C)O)cc12.COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)O)cc12.Cl
• InChI: InChI=1S/C20H21F2N3O4.C19H18F2N2O4.CH5NO.ClH/c1-24(27)20(26)18-8-16-14(12-29-6-5-28-2)11-25(19(16)9-23-18)10-13-3-4-15(21)7-17(13)22;1-26-4-5-27-11-13-10-23(9-12-2-3-14(20)6-16(12)21)18-8-22-17(19(24)25)7-15(13)18;1-2-3;/h3-4,7-9,11,27H,5-6,10,12H2,1-2H3;2-3,6-8,10H,4-5,9,11H2,1H3,(H,24,25);2-3H,1H3;1H
• InChIKey: KXPXGMKBAWHZIV-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 182.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.28
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride (CID 160532267) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride.

What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride is CNO.COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)N(C)O)cc12.COCCOCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)O)cc12.Cl.

What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

The InChIKey is KXPXGMKBAWHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4.C19H18F2N2O4.CH5NO.ClH/c1-24(27)20(26)18-8-16-14(12-29-6-5-28-2)11-25(19(16)9-23-18)10-13-3-4-15(21)7-17(13)22;1-26-4-5-27-11-13-10-23(9-12-2-3-14(20)6-16(12)21)18-8-22-17(19(24)25)7-15(13)18;1-2-3;/h3-4,7-9,11,27H,5-6,10,12H2,1-2H3;2-3,6-8,10H,4-5,9,11H2,1H3,(H,24,25);2-3H,1H3;1H.

What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride has a molecular weight of 865.28 g/mol, XLogP of 6.23, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide;1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 160532267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).