N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C15H11N3O2 — CID 150987642

IUPACN-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC(=O)c1cnc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-14(10-4-2-1-3-5-10)18-15(20)12-8-11-6-7-16-13(11)17-9-12/h1-9H,(H,16,17)(H,18,19,20)
InChIKeyLRKQBPCYBZCDPH-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.13
Rot. Bonds2

About N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 150987642) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID150987642
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC(=O)c1cnc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C15H11N3O2/c19-14(10-4-2-1-3-5-10)18-15(20)12-8-11-6-7-16-13(11)17-9-12/h1-9H,(H,16,17)(H,18,19,20)
InChIKeyLRKQBPCYBZCDPH-UHFFFAOYSA-N
XLogP2.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 150987642) is N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(NC(=O)c1cnc2[nH]ccc2c1)c1ccccc1.
What is the InChIKey of N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is LRKQBPCYBZCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14(10-4-2-1-3-5-10)18-15(20)12-8-11-6-7-16-13(11)17-9-12/h1-9H,(H,16,17)(H,18,19,20).
What are the key properties of N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 150987642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).