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

C16H13F2N3O2 — CID 10064390

IUPAC1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C16H13F2N3O2/c1-20(23)16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8,23H,9H2,1H3
InChIKeyQODSNKCCORKMJS-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.82
Rot. Bonds3

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

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 10064390) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID10064390
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C16H13F2N3O2/c1-20(23)16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8,23H,9H2,1H3
InChIKeyQODSNKCCORKMJS-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.82
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-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 10064390) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is QODSNKCCORKMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-20(23)16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8,23H,9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10064390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).