4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

C14H11N3O — CID 24856835

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H11N3O/c15-13(18)10-3-1-9(2-4-10)11-5-7-16-14-12(11)6-8-17-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyFJPFKKDTDZRSIR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.33
Rot. Bonds2

About 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 24856835) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID24856835
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H11N3O/c15-13(18)10-3-1-9(2-4-10)11-5-7-16-14-12(11)6-8-17-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyFJPFKKDTDZRSIR-UHFFFAOYSA-N
XLogP2.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 24856835) is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is NC(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is FJPFKKDTDZRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-13(18)10-3-1-9(2-4-10)11-5-7-16-14-12(11)6-8-17-14/h1-8H,(H2,15,18)(H,16,17).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 237.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 24856835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).