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

C18H18FN3O3 — CID 11717135

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)CCCO
InChIInChI=1S/C18H18FN3O3/c19-15-4-2-13(3-5-15)12-21-8-6-14-10-16(20-11-17(14)21)18(24)22(25)7-1-9-23/h2-6,8,10-11,23,25H,1,7,9,12H2
InChIKeyHIIHFGJAMHWFDH-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.44
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11717135) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11717135
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)CCCO
InChIInChI=1S/C18H18FN3O3/c19-15-4-2-13(3-5-15)12-21-8-6-14-10-16(20-11-17(14)21)18(24)22(25)7-1-9-23/h2-6,8,10-11,23,25H,1,7,9,12H2
InChIKeyHIIHFGJAMHWFDH-UHFFFAOYSA-N
XLogP2.44
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide (CID 11717135) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide is O=C(c1cc2ccn(Cc3ccc(F)cc3)c2cn1)N(O)CCCO.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is HIIHFGJAMHWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-15-4-2-13(3-5-15)12-21-8-6-14-10-16(20-11-17(14)21)18(24)22(25)7-1-9-23/h2-6,8,10-11,23,25H,1,7,9,12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11717135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).