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

C17H16FN3O3 — CID 52947619

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CO)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C17H16FN3O3/c1-20(24)17(23)15-6-14-12(10-22)9-21(16(14)7-19-15)8-11-2-4-13(18)5-3-11/h2-7,9,22,24H,8,10H2,1H3
InChIKeyMEIYUWJOHPFCMU-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.18
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 52947619) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID52947619
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CO)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C17H16FN3O3/c1-20(24)17(23)15-6-14-12(10-22)9-21(16(14)7-19-15)8-11-2-4-13(18)5-3-11/h2-7,9,22,24H,8,10H2,1H3
InChIKeyMEIYUWJOHPFCMU-UHFFFAOYSA-N
XLogP2.18
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 52947619) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2c(CO)cn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is MEIYUWJOHPFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-20(24)17(23)15-6-14-12(10-22)9-21(16(14)7-19-15)8-11-2-4-13(18)5-3-11/h2-7,9,22,24H,8,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 52947619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).