6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine

C24H30N4 — CID 130338094

IUPAC6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine
SMILESCCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CNC)ccc21
InChIInChI=1S/C24H30N4/c1-6-28-21(15-19-14-18(16-25-5)9-11-22(19)28)8-7-13-26-20-10-12-23(27-17-20)24(2,3)4/h9-12,14-15,17,25-26H,6,13,16H2,1-5H3
InChIKeyFPSYAMKJVIGUNX-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.54
Rot. Bonds5

About 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine

6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine (PubChem CID 130338094) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine
PubChem CID130338094
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine
SMILESCCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CNC)ccc21
InChIInChI=1S/C24H30N4/c1-6-28-21(15-19-14-18(16-25-5)9-11-22(19)28)8-7-13-26-20-10-12-23(27-17-20)24(2,3)4/h9-12,14-15,17,25-26H,6,13,16H2,1-5H3
InChIKeyFPSYAMKJVIGUNX-UHFFFAOYSA-N
XLogP4.54
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine 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

Beta-Carboline
CID 64961
Latrepirdine
CID 197033
Harman
CID 5281404
Rimcazole
CID 53389
1-Methyl-1H-indole-3-ethylamine
CID 23492
5-Methyltryptamine
CID 15760
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
alpha-Methyl-1H-indole-5-ethanamine
CID 55253543
5-Methylindole
CID 11978
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
3-Methyl-9h-pyrido[3,4-b]indole
CID 13315103
Alx-0646
CID 9860595

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine?
The IUPAC name of 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine (CID 130338094) is 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine is CCn1c(C#CCNc2ccc(C(C)(C)C)nc2)cc2cc(CNC)ccc21.
What is the InChIKey of 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine?
The InChIKey is FPSYAMKJVIGUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-6-28-21(15-19-14-18(16-25-5)9-11-22(19)28)8-7-13-26-20-10-12-23(27-17-20)24(2,3)4/h9-12,14-15,17,25-26H,6,13,16H2,1-5H3.
What are the key properties of 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine?
6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine has a molecular weight of 374.53 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]pyridin-3-amine is sourced from PubChem (CID 130338094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).