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

C27H35Cl4N5O — CID 45278565

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

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride (PubChem CID 45278565) has the molecular formula C27H35Cl4N5O and a molecular weight of 587.42 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
• PubChem CID: 45278565
• Molecular Formula: C27H35Cl4N5O
• Molecular Weight: 587.42 g/mol
• Exact Mass: 585.16
• IUPAC Name: N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
• SMILES: CCCn1c(-c2ccccn2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl
• InChI: InChI=1S/C27H33Cl2N5O.2ClH/c1-3-13-34-20(2)21(19-25(34)23-9-4-5-11-30-23)27(35)31-12-7-14-32-15-17-33(18-16-32)24-10-6-8-22(28)26(24)29;;/h4-6,8-11,19H,3,7,12-18H2,1-2H3,(H,31,35);2*1H
• InChIKey: UTTJCRKUXWNCHN-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.42
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride (CID 45278565) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride.

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

The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride is CCCn1c(-c2ccccn2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl.

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

The InChIKey is UTTJCRKUXWNCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Cl2N5O.2ClH/c1-3-13-34-20(2)21(19-25(34)23-9-4-5-11-30-23)27(35)31-12-7-14-32-15-17-33(18-16-32)24-10-6-8-22(28)26(24)29;;/h4-6,8-11,19H,3,7,12-18H2,1-2H3,(H,31,35);2*1H.

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

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride has a molecular weight of 587.42 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propyl-5-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 45278565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).