3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

C15H13FN4O2 — CID 89364180

IUPAC3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESNc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)NO)cc12
InChIInChI=1S/C15H13FN4O2/c16-10-3-1-9(2-4-10)7-20-8-12(17)11-5-13(15(21)19-22)18-6-14(11)20/h1-6,8,22H,7,17H2,(H,19,21)
InChIKeyLIEFBLVVDKPBIN-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.92
Rot. Bonds3

About 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 89364180) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID89364180
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESNc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)NO)cc12
InChIInChI=1S/C15H13FN4O2/c16-10-3-1-9(2-4-10)7-20-8-12(17)11-5-13(15(21)19-22)18-6-14(11)20/h1-6,8,22H,7,17H2,(H,19,21)
InChIKeyLIEFBLVVDKPBIN-UHFFFAOYSA-N
XLogP1.92
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
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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Related Compounds

3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11640453
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
CID 3013459
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 10316516
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957057
3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704907
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(hydroxymethyl)-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 52947619
3-[[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11568081
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11690985
1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 59855848
3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide
CID 10044170
1-[(2,4-difluorophenyl)methyl]-N-methoxy-3-(methylaminomethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 86623139
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704823

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 89364180) is 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is Nc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)NO)cc12.
What is the InChIKey of 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is LIEFBLVVDKPBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-10-3-1-9(2-4-10)7-20-8-12(17)11-5-13(15(21)19-22)18-6-14(11)20/h1-6,8,22H,7,17H2,(H,19,21).
What are the key properties of 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 89364180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).