tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate

C16H23N3O2 — CID 59731434

IUPACtert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate
SMILESCN(CCCn1ccc2ncccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-16(2,3)21-15(20)18(4)10-6-11-19-12-8-13-14(19)7-5-9-17-13/h5,7-9,12H,6,10-11H2,1-4H3
InChIKeyHJRIGBCEWNTGBM-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate

tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate (PubChem CID 59731434) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate
PubChem CID59731434
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nametert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate
SMILESCN(CCCn1ccc2ncccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-16(2,3)21-15(20)18(4)10-6-11-19-12-8-13-14(19)7-5-9-17-13/h5,7-9,12H,6,10-11H2,1-4H3
InChIKeyHJRIGBCEWNTGBM-UHFFFAOYSA-N
XLogP3.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate 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 tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate (CID 59731434) is tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate is CN(CCCn1ccc2ncccc21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate?
The InChIKey is HJRIGBCEWNTGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)21-15(20)18(4)10-6-11-19-12-8-13-14(19)7-5-9-17-13/h5,7-9,12H,6,10-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate?
tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate has a molecular weight of 289.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-pyrrolo[3,2-b]pyridin-1-ylpropyl)carbamate is sourced from PubChem (CID 59731434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).