N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H15N3 — CID 67570918

IUPACN-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1ccc(CNc2ccc3c(n2)NCC3)cc1
InChIInChI=1S/C14H15N3/c1-2-4-11(5-3-1)10-16-13-7-6-12-8-9-15-14(12)17-13/h1-7H,8-10H2,(H2,15,16,17)
InChIKeyJLQUSOONNFPKQS-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.66
Rot. Bonds3

About N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine

N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 67570918) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID67570918
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1ccc(CNc2ccc3c(n2)NCC3)cc1
InChIInChI=1S/C14H15N3/c1-2-4-11(5-3-1)10-16-13-7-6-12-8-9-15-14(12)17-13/h1-7H,8-10H2,(H2,15,16,17)
InChIKeyJLQUSOONNFPKQS-UHFFFAOYSA-N
XLogP2.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine 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 N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 67570918) is N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine is c1ccc(CNc2ccc3c(n2)NCC3)cc1.
What is the InChIKey of N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is JLQUSOONNFPKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-4-11(5-3-1)10-16-13-7-6-12-8-9-15-14(12)17-13/h1-7H,8-10H2,(H2,15,16,17).
What are the key properties of N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 225.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 67570918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).