5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine

C14H19N3OS — CID 71914446

IUPAC5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(NCc2ccsc2)nc1
InChIInChI=1S/C14H19N3OS/c1-17(6-7-18-2)13-3-4-14(16-10-13)15-9-12-5-8-19-11-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyMBYSBHIOAYIVFZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.84
Rot. Bonds7

About 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine

5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 71914446) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
PubChem CID71914446
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
SMILESCOCCN(C)c1ccc(NCc2ccsc2)nc1
InChIInChI=1S/C14H19N3OS/c1-17(6-7-18-2)13-3-4-14(16-10-13)15-9-12-5-8-19-11-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyMBYSBHIOAYIVFZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine 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 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine (CID 71914446) is 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine is COCCN(C)c1ccc(NCc2ccsc2)nc1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is MBYSBHIOAYIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17(6-7-18-2)13-3-4-14(16-10-13)15-9-12-5-8-19-11-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 277.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 71914446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).