6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide

C22H31N5O2S — CID 133382461

About 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133382461) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide
• PubChem CID: 133382461
• Molecular Formula: C22H31N5O2S
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.22
• IUPAC Name: 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide
• SMILES: CC1CCN(C(CNc2ccc(C(=O)NC3CCOCC3)nn2)c2cccs2)CC1
• InChI: InChI=1S/C22H31N5O2S/c1-16-6-10-27(11-7-16)19(20-3-2-14-30-20)15-23-21-5-4-18(25-26-21)22(28)24-17-8-12-29-13-9-17/h2-5,14,16-17,19H,6-13,15H2,1H3,(H,23,26)(H,24,28)
• InChIKey: UPDUKFKBRYVYAC-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide?

The IUPAC name of 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133382461) is 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide?

The canonical SMILES for 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide is CC1CCN(C(CNc2ccc(C(=O)NC3CCOCC3)nn2)c2cccs2)CC1.

What is the InChIKey of 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide?

The InChIKey is UPDUKFKBRYVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-16-6-10-27(11-7-16)19(20-3-2-14-30-20)15-23-21-5-4-18(25-26-21)22(28)24-17-8-12-29-13-9-17/h2-5,14,16-17,19H,6-13,15H2,1H3,(H,23,26)(H,24,28).

What are the key properties of 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide?

6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133382461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).