2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol

C17H19N3O — CID 176845459

IUPAC2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
SMILESOCCNCc1cccc2c1ccn2Cc1ccncc1
InChIInChI=1S/C17H19N3O/c21-11-9-19-12-15-2-1-3-17-16(15)6-10-20(17)13-14-4-7-18-8-5-14/h1-8,10,19,21H,9,11-13H2
InChIKeyPRQHBWQWEPXYSJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.17
Rot. Bonds6

About 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol

2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol (PubChem CID 176845459) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
PubChem CID176845459
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
SMILESOCCNCc1cccc2c1ccn2Cc1ccncc1
InChIInChI=1S/C17H19N3O/c21-11-9-19-12-15-2-1-3-17-16(15)6-10-20(17)13-14-4-7-18-8-5-14/h1-8,10,19,21H,9,11-13H2
InChIKeyPRQHBWQWEPXYSJ-UHFFFAOYSA-N
XLogP2.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol 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

2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide
CID 177193533
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-[(1-benzylpyrrolo[3,2-c]pyridin-4-yl)methylamino]ethanol;ethanol;N-[1-[(4-ethylphenyl)methyl]indol-4-yl]formamide
CID 177193616
5-methylidene-3-[1-(pyridin-4-ylmethyl)indol-4-yl]-1,3-thiazolidine-2,4-dione
CID 22439793

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol?
The IUPAC name of 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol (CID 176845459) is 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol?
The canonical SMILES for 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol is OCCNCc1cccc2c1ccn2Cc1ccncc1.
What is the InChIKey of 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol?
The InChIKey is PRQHBWQWEPXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-11-9-19-12-15-2-1-3-17-16(15)6-10-20(17)13-14-4-7-18-8-5-14/h1-8,10,19,21H,9,11-13H2.
What are the key properties of 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol?
2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol has a molecular weight of 281.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol is sourced from PubChem (CID 176845459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).