4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine

C11H15N3 — CID 71778142

IUPAC4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
SMILESNCCCCn1ccc2cccnc21
InChIInChI=1S/C11H15N3/c12-6-1-2-8-14-9-5-10-4-3-7-13-11(10)14/h3-5,7,9H,1-2,6,8,12H2
InChIKeyHWWCFBGUXHCYAZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.78
Rot. Bonds4

About 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine

4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine (PubChem CID 71778142) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
PubChem CID71778142
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
SMILESNCCCCn1ccc2cccnc21
InChIInChI=1S/C11H15N3/c12-6-1-2-8-14-9-5-10-4-3-7-13-11(10)14/h3-5,7,9H,1-2,6,8,12H2
InChIKeyHWWCFBGUXHCYAZ-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine?
The IUPAC name of 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine (CID 71778142) is 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine.
What is the SMILES notation for 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine?
The canonical SMILES for 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine is NCCCCn1ccc2cccnc21.
What is the InChIKey of 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine?
The InChIKey is HWWCFBGUXHCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-6-1-2-8-14-9-5-10-4-3-7-13-11(10)14/h3-5,7,9H,1-2,6,8,12H2.
What are the key properties of 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine?
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine is sourced from PubChem (CID 71778142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).