1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide

C15H12ClN3O2 — CID 87265832

IUPAC1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(Cc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H12ClN3O2/c16-12-4-1-10(2-5-12)9-19-8-7-11-3-6-13(15(20)18-21)17-14(11)19/h1-8,21H,9H2,(H,18,20)
InChIKeyOSNNLCPQKZSZBQ-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.86
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide

1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 87265832) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID87265832
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(Cc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H12ClN3O2/c16-12-4-1-10(2-5-12)9-19-8-7-11-3-6-13(15(20)18-21)17-14(11)19/h1-8,21H,9H2,(H,18,20)
InChIKeyOSNNLCPQKZSZBQ-UHFFFAOYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide (CID 87265832) is 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide is O=C(NO)c1ccc2ccn(Cc3ccc(Cl)cc3)c2n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is OSNNLCPQKZSZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-4-1-10(2-5-12)9-19-8-7-11-3-6-13(15(20)18-21)17-14(11)19/h1-8,21H,9H2,(H,18,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-hydroxypyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 87265832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).