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

C16H14FN3O2 — CID 10040375

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C16H14FN3O2/c1-19(22)16(21)14-8-12-6-7-20(15(12)9-18-14)10-11-2-4-13(17)5-3-11/h2-9,22H,10H2,1H3
InChIKeyIQPCCOLMUCPXIT-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.68
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 10040375) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID10040375
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C16H14FN3O2/c1-19(22)16(21)14-8-12-6-7-20(15(12)9-18-14)10-11-2-4-13(17)5-3-11/h2-9,22H,10H2,1H3
InChIKeyIQPCCOLMUCPXIT-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 10040375) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is IQPCCOLMUCPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-19(22)16(21)14-8-12-6-7-20(15(12)9-18-14)10-11-2-4-13(17)5-3-11/h2-9,22H,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10040375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).