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

C22H24FN5O3 — CID 11640453

IUPAC3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESNC(=O)C1CCCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)C1
InChIInChI=1S/C22H24FN5O3/c23-17-5-3-14(4-6-17)10-28-13-16(12-27-7-1-2-15(11-27)21(24)29)18-8-19(22(30)26-31)25-9-20(18)28/h3-6,8-9,13,15,31H,1-2,7,10-12H2,(H2,24,29)(H,26,30)
InChIKeyFQUFFNCGPNUZGW-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.04
Rot. Bonds6

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

3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11640453) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11640453
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESNC(=O)C1CCCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)C1
InChIInChI=1S/C22H24FN5O3/c23-17-5-3-14(4-6-17)10-28-13-16(12-27-7-1-2-15(11-27)21(24)29)18-8-19(22(30)26-31)25-9-20(18)28/h3-6,8-9,13,15,31H,1-2,7,10-12H2,(H2,24,29)(H,26,30)
InChIKeyFQUFFNCGPNUZGW-UHFFFAOYSA-N
XLogP2.04
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
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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Related Compounds

3-amino-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 89364180
1-[(4-fluorophenyl)methyl]-N-hydroxy-3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 11682724
3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704907
3-[(3-ethylsulfonylpyrrolidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 143197158
1-[(2-carbamothioyl-5-fluorophenyl)methyl]piperidine-3-carboxamide
CID 64763390
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
1-[[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507013
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
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-[[[(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-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 11640453) is 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is NC(=O)C1CCCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)C1.
What is the InChIKey of 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is FQUFFNCGPNUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c23-17-5-3-14(4-6-17)10-28-13-16(12-27-7-1-2-15(11-27)21(24)29)18-8-19(22(30)26-31)25-9-20(18)28/h3-6,8-9,13,15,31H,1-2,7,10-12H2,(H2,24,29)(H,26,30).
What are the key properties of 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11640453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).