1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide

C21H23FN4O3 — CID 11682724

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CN3CCC(O)C3)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C21H23FN4O3/c1-24(29)21(28)19-8-18-15(11-25-7-6-17(27)13-25)12-26(20(18)9-23-19)10-14-2-4-16(22)5-3-14/h2-5,8-9,12,17,27,29H,6-7,10-11,13H2,1H3
InChIKeyVUOBGGZYLAQABH-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.25
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11682724) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11682724
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CN3CCC(O)C3)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C21H23FN4O3/c1-24(29)21(28)19-8-18-15(11-25-7-6-17(27)13-25)12-26(20(18)9-23-19)10-14-2-4-16(22)5-3-14/h2-5,8-9,12,17,27,29H,6-7,10-11,13H2,1H3
InChIKeyVUOBGGZYLAQABH-UHFFFAOYSA-N
XLogP2.25
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 11682724) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2c(CN3CCC(O)C3)cn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is VUOBGGZYLAQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-24(29)21(28)19-8-18-15(11-25-7-6-17(27)13-25)12-26(20(18)9-23-19)10-14-2-4-16(22)5-3-14/h2-5,8-9,12,17,27,29H,6-7,10-11,13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11682724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).