2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide

C13H14N4O2S — CID 46230182

IUPAC2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1cc(-c2ccsc2)cnc1N
InChIInChI=1S/C13H14N4O2S/c14-11(18)1-3-16-13(19)10-5-9(6-17-12(10)15)8-2-4-20-7-8/h2,4-7H,1,3H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyHCJIJYTYNIQZJC-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.00
Rot. Bonds5

About 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide

2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 46230182) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide
PubChem CID46230182
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1cc(-c2ccsc2)cnc1N
InChIInChI=1S/C13H14N4O2S/c14-11(18)1-3-16-13(19)10-5-9(6-17-12(10)15)8-2-4-20-7-8/h2,4-7H,1,3H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyHCJIJYTYNIQZJC-UHFFFAOYSA-N
XLogP1.00
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide 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 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide (CID 46230182) is 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide is NC(=O)CCNC(=O)c1cc(-c2ccsc2)cnc1N.
What is the InChIKey of 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is HCJIJYTYNIQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-11(18)1-3-16-13(19)10-5-9(6-17-12(10)15)8-2-4-20-7-8/h2,4-7H,1,3H2,(H2,14,18)(H2,15,17)(H,16,19).
What are the key properties of 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide?
2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-3-oxopropyl)-5-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 46230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).