(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine

C13H19N3 — CID 66415692

IUPAC(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCCCCCn1cc(CN)c2cccnc21
InChIInChI=1S/C13H19N3/c1-2-3-4-8-16-10-11(9-14)12-6-5-7-15-13(12)16/h5-7,10H,2-4,8-9,14H2,1H3
InChIKeyFVPPCWDEAHDCEW-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.69
Rot. Bonds5

About (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine

(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 66415692) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
PubChem CID66415692
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCCCCCn1cc(CN)c2cccnc21
InChIInChI=1S/C13H19N3/c1-2-3-4-8-16-10-11(9-14)12-6-5-7-15-13(12)16/h5-7,10H,2-4,8-9,14H2,1H3
InChIKeyFVPPCWDEAHDCEW-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine 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 (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The IUPAC name of (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine (CID 66415692) is (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine.
What is the SMILES notation for (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The canonical SMILES for (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine is CCCCCn1cc(CN)c2cccnc21.
What is the InChIKey of (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The InChIKey is FVPPCWDEAHDCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-3-4-8-16-10-11(9-14)12-6-5-7-15-13(12)16/h5-7,10H,2-4,8-9,14H2,1H3.
What are the key properties of (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 66415692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).