1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide

C24H27Cl2N5O — CID 68572857

About 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide

1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 68572857) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide
• PubChem CID: 68572857
• Molecular Formula: C24H27Cl2N5O
• Molecular Weight: 472.42 g/mol
• Exact Mass: 471.16
• IUPAC Name: 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide
• SMILES: Cc1c(C(N)=O)cc(-c2ccccn2)n1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
• InChI: InChI=1S/C24H27Cl2N5O/c1-17-18(24(27)32)16-22(20-7-2-3-9-28-20)31(17)11-5-10-29-12-14-30(15-13-29)21-8-4-6-19(25)23(21)26/h2-4,6-9,16H,5,10-15H2,1H3,(H2,27,32)
• InChIKey: HGPMQUYAYVDUQW-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 67.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.42
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide?

The IUPAC name of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide (CID 68572857) is 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide.

What is the SMILES notation for 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide?

The canonical SMILES for 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccccn2)n1CCCN1CCN(c2cccc(Cl)c2Cl)CC1.

What is the InChIKey of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide?

The InChIKey is HGPMQUYAYVDUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-17-18(24(27)32)16-22(20-7-2-3-9-28-20)31(17)11-5-10-29-12-14-30(15-13-29)21-8-4-6-19(25)23(21)26/h2-4,6-9,16H,5,10-15H2,1H3,(H2,27,32).

What are the key properties of 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide?

1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 68572857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).