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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Related Compounds

1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 11682724
3-[(3-ethylsulfonylpyrrolidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 143197158
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957088
1-[1-[(4-fluorophenyl)methyl]-5-(1-methoxypropa-1,2-dienyl)pyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
CID 143126174
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
3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 89364180
methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 44549659
3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11640453
9-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 46704091
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(hydroxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 58869228

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).