1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

C19H20F2N4O3 — CID 15957057

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

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 15957057) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
• PubChem CID: 15957057
• Molecular Formula: C19H20F2N4O3
• Molecular Weight: 390.39 g/mol
• Exact Mass: 390.15
• IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
• SMILES: CC(CO)NCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12
• InChI: InChI=1S/C19H20F2N4O3/c1-11(10-26)22-6-13-9-25(8-12-2-3-14(20)4-16(12)21)18-7-23-17(5-15(13)18)19(27)24-28/h2-5,7,9,11,22,26,28H,6,8,10H2,1H3,(H,24,27)
• InChIKey: CSFMRRJGRQNDPY-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 99.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.39
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	4
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 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?

The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (CID 15957057) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.

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

The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is CC(CO)NCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12.

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

The InChIKey is CSFMRRJGRQNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11(10-26)22-6-13-9-25(8-12-2-3-14(20)4-16(12)21)18-7-23-17(5-15(13)18)19(27)24-28/h2-5,7,9,11,22,26,28H,6,8,10H2,1H3,(H,24,27).

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

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 15957057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).