1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine

C16H17N3 — CID 155323773

IUPAC1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine
SMILESCCn1c(-c2cccc(C)c2)cc2nc(N)ccc21
InChIInChI=1S/C16H17N3/c1-3-19-14-7-8-16(17)18-13(14)10-15(19)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H2,17,18)
InChIKeyAOIRXERKZQXSQY-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.61
Rot. Bonds2

About 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine

1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 155323773) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine
PubChem CID155323773
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine
SMILESCCn1c(-c2cccc(C)c2)cc2nc(N)ccc21
InChIInChI=1S/C16H17N3/c1-3-19-14-7-8-16(17)18-13(14)10-15(19)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H2,17,18)
InChIKeyAOIRXERKZQXSQY-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-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 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine (CID 155323773) is 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine is CCn1c(-c2cccc(C)c2)cc2nc(N)ccc21.
What is the InChIKey of 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is AOIRXERKZQXSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-19-14-7-8-16(17)18-13(14)10-15(19)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H2,17,18).
What are the key properties of 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine?
1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 155323773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).