N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide

C24H28N4O2S — CID 92666033

About N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide

N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 92666033) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 92666033
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
• SMILES: COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccnc2)CC1
• InChI: InChI=1S/C24H28N4O2S/c1-18(26-24(29)19-7-5-11-25-17-19)23(22-10-6-16-31-22)28-14-12-27(13-15-28)20-8-3-4-9-21(20)30-2/h3-11,16-18,23H,12-15H2,1-2H3,(H,26,29)/t18-,23-/m1/s1
• InChIKey: XTVQGNKVYGHBRH-WZONZLPQSA-N
• XLogP: 3.83
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide (CID 92666033) is N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide is COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccnc2)CC1.

What is the InChIKey of N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?

The InChIKey is XTVQGNKVYGHBRH-WZONZLPQSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-18(26-24(29)19-7-5-11-25-17-19)23(22-10-6-16-31-22)28-14-12-27(13-15-28)20-8-3-4-9-21(20)30-2/h3-11,16-18,23H,12-15H2,1-2H3,(H,26,29)/t18-,23-/m1/s1.

What are the key properties of N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide?

N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92666033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).