1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

C22H19F2N5O3 — CID 11704823

About 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11704823) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
• PubChem CID: 11704823
• Molecular Formula: C22H19F2N5O3
• Molecular Weight: 439.42 g/mol
• Exact Mass: 439.15
• IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
• SMILES: COc1ncccc1NCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12
• InChI: InChI=1S/C22H19F2N5O3/c1-32-22-18(3-2-6-25-22)26-9-14-12-29(11-13-4-5-15(23)7-17(13)24)20-10-27-19(8-16(14)20)21(30)28-31/h2-8,10,12,26,31H,9,11H2,1H3,(H,28,30)
• InChIKey: DRVFZPDFTZMJFG-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.42
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
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 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?

The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (CID 11704823) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?

The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is COc1ncccc1NCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12.

What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?

The InChIKey is DRVFZPDFTZMJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c1-32-22-18(3-2-6-25-22)26-9-14-12-29(11-13-4-5-15(23)7-17(13)24)20-10-27-19(8-16(14)20)21(30)28-31/h2-8,10,12,26,31H,9,11H2,1H3,(H,28,30).

What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11704823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).