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

C18H18FN3O3 — CID 15957087

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12
InChIInChI=1S/C18H18FN3O3/c1-21(24)18(23)16-7-15-13(11-25-2)10-22(17(15)8-20-16)9-12-3-5-14(19)6-4-12/h3-8,10,24H,9,11H2,1-2H3
InChIKeyBLXBQENQGSXSIQ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.83
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 15957087) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID15957087
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12
InChIInChI=1S/C18H18FN3O3/c1-21(24)18(23)16-7-15-13(11-25-2)10-22(17(15)8-20-16)9-12-3-5-14(19)6-4-12/h3-8,10,24H,9,11H2,1-2H3
InChIKeyBLXBQENQGSXSIQ-UHFFFAOYSA-N
XLogP2.83
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 15957087) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is COCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is BLXBQENQGSXSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-21(24)18(23)16-7-15-13(11-25-2)10-22(17(15)8-20-16)9-12-3-5-14(19)6-4-12/h3-8,10,24H,9,11H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(methoxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 15957087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).