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

C14H11N3O — CID 57482985

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C14H11N3O/c15-13(18)10-3-1-2-9(8-10)11-4-6-16-14-12(11)5-7-17-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyOZGIQYWVCOUXNR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.33
Rot. Bonds2

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

3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 57482985) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID57482985
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C14H11N3O/c15-13(18)10-3-1-2-9(8-10)11-4-6-16-14-12(11)5-7-17-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyOZGIQYWVCOUXNR-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 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 57482985) is 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is NC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is OZGIQYWVCOUXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-13(18)10-3-1-2-9(8-10)11-4-6-16-14-12(11)5-7-17-14/h1-8H,(H2,15,18)(H,16,17).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
3-(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 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 57482985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).