5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

C13H10N4O — CID 91030221

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H10N4O/c14-12(18)11-2-1-9(6-16-11)10-5-8-3-4-15-13(8)17-7-10/h1-7H,(H2,14,18)(H,15,17)
InChIKeyXKUGHAYDPSCLDN-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.72
Rot. Bonds2

About 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 91030221) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID91030221
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H10N4O/c14-12(18)11-2-1-9(6-16-11)10-5-8-3-4-15-13(8)17-7-10/h1-7H,(H2,14,18)(H,15,17)
InChIKeyXKUGHAYDPSCLDN-UHFFFAOYSA-N
XLogP1.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 91030221) is 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is NC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cn1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is XKUGHAYDPSCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-12(18)11-2-1-9(6-16-11)10-5-8-3-4-15-13(8)17-7-10/h1-7H,(H2,14,18)(H,15,17).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 91030221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).