(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine

C16H17N3 — CID 81406304

IUPAC(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1c[nH]c2ccccc12)c1ccncc1
InChIInChI=1S/C16H17N3/c1-12(13-6-8-17-9-7-13)18-10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,18-19H,10H2,1H3/t12-/m1/s1
InChIKeyOISBQQCYECUCFT-GFCCVEGCSA-N
MW251.33 g/mol
LogP3.41
Rot. Bonds4

About (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine

(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine (PubChem CID 81406304) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
PubChem CID81406304
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1c[nH]c2ccccc12)c1ccncc1
InChIInChI=1S/C16H17N3/c1-12(13-6-8-17-9-7-13)18-10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,18-19H,10H2,1H3/t12-/m1/s1
InChIKeyOISBQQCYECUCFT-GFCCVEGCSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine 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

(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 19626669

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine (CID 81406304) is (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine is C[C@@H](NCc1c[nH]c2ccccc12)c1ccncc1.
What is the InChIKey of (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine?
The InChIKey is OISBQQCYECUCFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(13-6-8-17-9-7-13)18-10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,18-19H,10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine?
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).