N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

C27H27Cl2N5O2 — CID 42832704

About N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide

N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 42832704) has the molecular formula C27H27Cl2N5O2 and a molecular weight of 524.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
• PubChem CID: 42832704
• Molecular Formula: C27H27Cl2N5O2
• Molecular Weight: 524.45 g/mol
• Exact Mass: 523.15
• IUPAC Name: N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
• SMILES: O=C(CN(C(=O)Cc1ccccc1)C1CC1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1
• InChI: InChI=1S/C27H27Cl2N5O2/c28-20-6-9-22(23(29)17-20)24-10-11-25(31-30-24)32-12-14-33(15-13-32)27(36)18-34(21-7-8-21)26(35)16-19-4-2-1-3-5-19/h1-6,9-11,17,21H,7-8,12-16,18H2
• InChIKey: LRZVZPMHDHIGOV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.45
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?

The IUPAC name of N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 42832704) is N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?

The canonical SMILES for N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is O=C(CN(C(=O)Cc1ccccc1)C1CC1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1.

What is the InChIKey of N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?

The InChIKey is LRZVZPMHDHIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5O2/c28-20-6-9-22(23(29)17-20)24-10-11-25(31-30-24)32-12-14-33(15-13-32)27(36)18-34(21-7-8-21)26(35)16-19-4-2-1-3-5-19/h1-6,9-11,17,21H,7-8,12-16,18H2.

What are the key properties of N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide?

N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 524.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 42832704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).