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

C22H24FN5O3 — CID 11647548

IUPAC3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1
InChIKeyXGYYVDZJWSDWDE-IBGZPJMESA-N
MW425.46 g/mol
LogP2.13
Rot. Bonds6

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

3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11647548) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11647548
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1
InChIKeyXGYYVDZJWSDWDE-IBGZPJMESA-N
XLogP2.13
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 11647548) is 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is XGYYVDZJWSDWDE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-26(31)22(30)18-9-17-15(12-27-8-2-3-19(27)21(24)29)13-28(20(17)10-25-18)11-14-4-6-16(23)7-5-14/h4-7,9-10,13,19,31H,2-3,8,11-12H2,1H3,(H2,24,29)/t19-/m0/s1.
What are the key properties of 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11647548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).