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

C22H24FN3O4 — CID 15957083

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(COC3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C22H24FN3O4/c1-25(28)22(27)20-10-19-16(14-30-18-6-8-29-9-7-18)13-26(21(19)11-24-20)12-15-2-4-17(23)5-3-15/h2-5,10-11,13,18,28H,6-9,12,14H2,1H3
InChIKeyUZFMAOMGKOZJIW-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.38
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 15957083) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID15957083
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(COC3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C22H24FN3O4/c1-25(28)22(27)20-10-19-16(14-30-18-6-8-29-9-7-18)13-26(21(19)11-24-20)12-15-2-4-17(23)5-3-15/h2-5,10-11,13,18,28H,6-9,12,14H2,1H3
InChIKeyUZFMAOMGKOZJIW-UHFFFAOYSA-N
XLogP3.38
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide (CID 15957083) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2c(COC3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is UZFMAOMGKOZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-25(28)22(27)20-10-19-16(14-30-18-6-8-29-9-7-18)13-26(21(19)11-24-20)12-15-2-4-17(23)5-3-15/h2-5,10-11,13,18,28H,6-9,12,14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(oxan-4-yloxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 15957083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).