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

C20H22FN3O4 — CID 11581832

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12
InChIInChI=1S/C20H22FN3O4/c1-23(26)20(25)18-9-17-15(13-28-8-7-27-2)12-24(19(17)10-22-18)11-14-3-5-16(21)6-4-14/h3-6,9-10,12,26H,7-8,11,13H2,1-2H3
InChIKeySOCNLKDSYACLEQ-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.85
Rot. Bonds8

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

1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11581832) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11581832
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12
InChIInChI=1S/C20H22FN3O4/c1-23(26)20(25)18-9-17-15(13-28-8-7-27-2)12-24(19(17)10-22-18)11-14-3-5-16(21)6-4-14/h3-6,9-10,12,26H,7-8,11,13H2,1-2H3
InChIKeySOCNLKDSYACLEQ-UHFFFAOYSA-N
XLogP2.85
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 11581832) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is COCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is SOCNLKDSYACLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-23(26)20(25)18-9-17-15(13-28-8-7-27-2)12-24(19(17)10-22-18)11-14-3-5-16(21)6-4-14/h3-6,9-10,12,26H,7-8,11,13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 2.85, 8 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-3-(2-methoxyethoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11581832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).