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

C24H27Cl2N5O — CID 45278726

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

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 45278726) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide
• PubChem CID: 45278726
• Molecular Formula: C24H27Cl2N5O
• Molecular Weight: 472.42 g/mol
• Exact Mass: 471.16
• IUPAC Name: N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2cccnc2)n1C
• InChI: InChI=1S/C24H27Cl2N5O/c1-17-19(15-22(29(17)2)18-5-4-8-27-16-18)24(32)28-9-10-30-11-13-31(14-12-30)21-7-3-6-20(25)23(21)26/h3-8,15-16H,9-14H2,1-2H3,(H,28,32)
• InChIKey: LAOQVKAFFZVPHC-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.42
LogP ≤ 5	4.25
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]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide?

The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide (CID 45278726) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide.

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

The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide is Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2cccnc2)n1C.

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

The InChIKey is LAOQVKAFFZVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-17-19(15-22(29(17)2)18-5-4-8-27-16-18)24(32)28-9-10-30-11-13-31(14-12-30)21-7-3-6-20(25)23(21)26/h3-8,15-16H,9-14H2,1-2H3,(H,28,32).

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

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 4.25, 6 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]-1,2-dimethyl-5-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 45278726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).