4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline

C20H25N3O2 — CID 123289359

IUPAC4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline
SMILESCOCCOCCCCc1cn(-c2ccc(N)cc2)c2cnccc12
InChIInChI=1S/C20H25N3O2/c1-24-12-13-25-11-3-2-4-16-15-23(18-7-5-17(21)6-8-18)20-14-22-10-9-19(16)20/h5-10,14-15H,2-4,11-13,21H2,1H3
InChIKeyFJXQLZRMHGOKCB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.59
Rot. Bonds9

About 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline

4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline (PubChem CID 123289359) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline
PubChem CID123289359
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline
SMILESCOCCOCCCCc1cn(-c2ccc(N)cc2)c2cnccc12
InChIInChI=1S/C20H25N3O2/c1-24-12-13-25-11-3-2-4-16-15-23(18-7-5-17(21)6-8-18)20-14-22-10-9-19(16)20/h5-10,14-15H,2-4,11-13,21H2,1H3
InChIKeyFJXQLZRMHGOKCB-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline 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

9-(4'-Aminophenyl)-9H-pyrido(3,4-b)indole
CID 154224
4-[3-(4-fluorophenyl)-1-(1-methoxyethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 23647183
Dimethyl-{2-[6-(tetrahydro-pyran-4-yl)-indol-1-yl]-ethyl}-amine
CID 18007586
4-(7-Fluoro-1-methylpyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575649
1-(Oxan-4-yl)-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
CID 156015853
1-[(3-Methyloxetan-3-yl)methyl]-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
CID 156017524
(R/S)-6-(4-Fluorophenyl)-1-(tetrahydropyran-2-
CID 124176079
N-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 49798209
N-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]-N',N'-diethylbutane-1,4-diamine
CID 49798228
2-[1-(Pyridin-2-ylmethyl)indol-3-yl]ethanamine
CID 10015047
9-Butyl-1-methylpyrido[3,4-b]indole
CID 11680288
N',N'-diethyl-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]ethane-1,2-diamine
CID 49798206

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline?
The IUPAC name of 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline (CID 123289359) is 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline.
What is the SMILES notation for 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline?
The canonical SMILES for 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline is COCCOCCCCc1cn(-c2ccc(N)cc2)c2cnccc12.
What is the InChIKey of 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline?
The InChIKey is FJXQLZRMHGOKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-24-12-13-25-11-3-2-4-16-15-23(18-7-5-17(21)6-8-18)20-14-22-10-9-19(16)20/h5-10,14-15H,2-4,11-13,21H2,1H3.
What are the key properties of 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline?
4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline has a molecular weight of 339.44 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline is sourced from PubChem (CID 123289359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).