N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide

C24H26ClN5O3 — CID 1026321

About N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 1026321) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
• PubChem CID: 1026321
• Molecular Formula: C24H26ClN5O3
• Molecular Weight: 467.96 g/mol
• Exact Mass: 467.17
• IUPAC Name: N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)N(CCC(=O)N2CCN(c3ccccc3Cl)CC2)Cc2ccco2)cn1
• InChI: InChI=1S/C24H26ClN5O3/c1-18-15-27-21(16-26-18)24(32)30(17-19-5-4-14-33-19)9-8-23(31)29-12-10-28(11-13-29)22-7-3-2-6-20(22)25/h2-7,14-16H,8-13,17H2,1H3
• InChIKey: NWGSDHRVSXIHFK-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.96
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?

The IUPAC name of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide (CID 1026321) is N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?

The canonical SMILES for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N2CCN(c3ccccc3Cl)CC2)Cc2ccco2)cn1.

What is the InChIKey of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?

The InChIKey is NWGSDHRVSXIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-18-15-27-21(16-26-18)24(32)30(17-19-5-4-14-33-19)9-8-23(31)29-12-10-28(11-13-29)22-7-3-2-6-20(22)25/h2-7,14-16H,8-13,17H2,1H3.

What are the key properties of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1026321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).