6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C17H21N5O2S — CID 133340384

About 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133340384) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133340384
• Molecular Formula: C17H21N5O2S
• Molecular Weight: 359.46 g/mol
• Exact Mass: 359.14
• IUPAC Name: 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CCOC1CC(Nc2ccc(C(=O)Nc3nncs3)cn2)C12CCC2
• InChI: InChI=1S/C17H21N5O2S/c1-2-24-13-8-12(17(13)6-3-7-17)20-14-5-4-11(9-18-14)15(23)21-16-22-19-10-25-16/h4-5,9-10,12-13H,2-3,6-8H2,1H3,(H,18,20)(H,21,22,23)
• InChIKey: PKTUTQZBIJUNFK-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.46
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133340384) is 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCOC1CC(Nc2ccc(C(=O)Nc3nncs3)cn2)C12CCC2.

What is the InChIKey of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is PKTUTQZBIJUNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-24-13-8-12(17(13)6-3-7-17)20-14-5-4-11(9-18-14)15(23)21-16-22-19-10-25-16/h4-5,9-10,12-13H,2-3,6-8H2,1H3,(H,18,20)(H,21,22,23).

What are the key properties of 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133340384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).