N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine

C16H17N3 — CID 62324302

IUPACN-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
SMILESc1ccc2c(CNCCc3ccncc3)c[nH]c2c1
InChIInChI=1S/C16H17N3/c1-2-4-16-15(3-1)14(12-19-16)11-18-10-7-13-5-8-17-9-6-13/h1-6,8-9,12,18-19H,7,10-11H2
InChIKeyPWMKVAFCKFJUCF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.90
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine

N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine (PubChem CID 62324302) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
PubChem CID62324302
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
SMILESc1ccc2c(CNCCc3ccncc3)c[nH]c2c1
InChIInChI=1S/C16H17N3/c1-2-4-16-15(3-1)14(12-19-16)11-18-10-7-13-5-8-17-9-6-13/h1-6,8-9,12,18-19H,7,10-11H2
InChIKeyPWMKVAFCKFJUCF-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1H-indol-3-ylmethyl)-2-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

N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
(1H-indol-3-ylmethylamino)methanol
CID 115228988
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine (CID 62324302) is N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine is c1ccc2c(CNCCc3ccncc3)c[nH]c2c1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine?
The InChIKey is PWMKVAFCKFJUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-4-16-15(3-1)14(12-19-16)11-18-10-7-13-5-8-17-9-6-13/h1-6,8-9,12,18-19H,7,10-11H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine?
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 62324302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).