2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide

C23H27N7O2S — CID 146202136

About 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide

2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 146202136) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 146202136
• Molecular Formula: C23H27N7O2S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.19
• IUPAC Name: 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: CC(C)C(=O)Nc1nnc(C2CC[C@@H](Cc3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1
• InChI: InChI=1S/C23H27N7O2S/c1-14(2)21(32)26-23-30-29-22(33-23)16-7-6-15(11-16)12-18-8-9-19(28-27-18)25-20(31)13-17-5-3-4-10-24-17/h3-5,8-10,14-16H,6-7,11-13H2,1-2H3,(H,25,28,31)(H,26,30,32)/t15-,16?/m1/s1
• InChIKey: SSECTBMWUVNJIL-AAFJCEBUSA-N
• XLogP: 3.63
• TPSA: 122.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 146202136) is 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide is CC(C)C(=O)Nc1nnc(C2CC[C@@H](Cc3ccc(NC(=O)Cc4ccccn4)nn3)C2)s1.

What is the InChIKey of 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is SSECTBMWUVNJIL-AAFJCEBUSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-14(2)21(32)26-23-30-29-22(33-23)16-7-6-15(11-16)12-18-8-9-19(28-27-18)25-20(31)13-17-5-3-4-10-24-17/h3-5,8-10,14-16H,6-7,11-13H2,1-2H3,(H,25,28,31)(H,26,30,32)/t15-,16?/m1/s1.

What are the key properties of 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide?

2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 465.58 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 146202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).