aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine

C19H24N4 — CID 143921679

IUPACaniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCN1CCCC1Cc1c[nH]c2cccnc12.Nc1ccccc1
InChIInChI=1S/C13H17N3.C6H7N/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-14-13(10)12;7-6-4-2-1-3-5-6/h2,5-6,9,11,15H,3-4,7-8H2,1H3;1-5H,7H2
InChIKeyUMTMKRNRXLUHGL-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.47
Rot. Bonds2

About aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine

aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 143921679) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameaniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID143921679
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Nameaniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCN1CCCC1Cc1c[nH]c2cccnc12.Nc1ccccc1
InChIInChI=1S/C13H17N3.C6H7N/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-14-13(10)12;7-6-4-2-1-3-5-6/h2,5-6,9,11,15H,3-4,7-8H2,1H3;1-5H,7H2
InChIKeyUMTMKRNRXLUHGL-UHFFFAOYSA-N
XLogP3.47
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 54438250
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
4-methoxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 170305481
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003804
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
4-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole
CID 70207091
4-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]benzimidazole
CID 23223098
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397

Frequently Asked Questions

What is the IUPAC name of aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine (CID 143921679) is aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine is CN1CCCC1Cc1c[nH]c2cccnc12.Nc1ccccc1.
What is the InChIKey of aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is UMTMKRNRXLUHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C6H7N/c1-16-7-3-4-11(16)8-10-9-15-12-5-2-6-14-13(10)12;7-6-4-2-1-3-5-6/h2,5-6,9,11,15H,3-4,7-8H2,1H3;1-5H,7H2.
What are the key properties of aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine?
aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 308.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143921679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).