3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride

C15H20ClN3OS — CID 71298584

IUPAC3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCl.NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1
InChIInChI=1S/C15H19N3OS.ClH/c16-8-9-3-5-10(6-4-9)12-11-2-1-7-18-15(11)20-13(12)14(17)19;/h1-2,7,9-10H,3-6,8,16H2,(H2,17,19);1H
InChIKeyYYJSGGFJFKFLMW-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.05
Rot. Bonds3

About 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride

3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 71298584) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID71298584
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCl.NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1
InChIInChI=1S/C15H19N3OS.ClH/c16-8-9-3-5-10(6-4-9)12-11-2-1-7-18-15(11)20-13(12)14(17)19;/h1-2,7,9-10H,3-6,8,16H2,(H2,17,19);1H
InChIKeyYYJSGGFJFKFLMW-UHFFFAOYSA-N
XLogP3.05
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 71298584) is 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cl.NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1.
What is the InChIKey of 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is YYJSGGFJFKFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c16-8-9-3-5-10(6-4-9)12-11-2-1-7-18-15(11)20-13(12)14(17)19;/h1-2,7,9-10H,3-6,8,16H2,(H2,17,19);1H.
What are the key properties of 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 71298584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).