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

C26H31Cl2N5O — CID 58358820

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

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide (PubChem CID 58358820) has the molecular formula C26H31Cl2N5O and a molecular weight of 500.47 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide
• PubChem CID: 58358820
• Molecular Formula: C26H31Cl2N5O
• Molecular Weight: 500.47 g/mol
• Exact Mass: 499.19
• IUPAC Name: N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide
• SMILES: CCCn1c(-c2ccncc2)cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C
• InChI: InChI=1S/C26H31Cl2N5O/c1-3-12-33-19(2)21(18-24(33)20-7-9-29-10-8-20)26(34)30-11-13-31-14-16-32(17-15-31)23-6-4-5-22(27)25(23)28/h4-10,18H,3,11-17H2,1-2H3,(H,30,34)
• InChIKey: AVBASDVVEMRAJU-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.47
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide (CID 58358820) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide.

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

The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide is CCCn1c(-c2ccncc2)cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.

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

The InChIKey is AVBASDVVEMRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N5O/c1-3-12-33-19(2)21(18-24(33)20-7-9-29-10-8-20)26(34)30-11-13-31-14-16-32(17-15-31)23-6-4-5-22(27)25(23)28/h4-10,18H,3,11-17H2,1-2H3,(H,30,34).

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

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide has a molecular weight of 500.47 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-1-propyl-5-pyridin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 58358820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).