4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C13H17N5O — CID 67518186

IUPAC4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCCNC1
InChIInChI=1S/C13H17N5O/c14-12(19)10-7-17-13-9(3-5-16-13)11(10)18-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,19)(H2,16,17,18)
InChIKeyALIKBXISSFOSLP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.83
Rot. Bonds3

About 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67518186) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67518186
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCCNC1
InChIInChI=1S/C13H17N5O/c14-12(19)10-7-17-13-9(3-5-16-13)11(10)18-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,19)(H2,16,17,18)
InChIKeyALIKBXISSFOSLP-UHFFFAOYSA-N
XLogP0.83
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-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 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67518186) is 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NC1CCCNC1.
What is the InChIKey of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is ALIKBXISSFOSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-12(19)10-7-17-13-9(3-5-16-13)11(10)18-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,19)(H2,16,17,18).
What are the key properties of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67518186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).