N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C29H29N5O4 — CID 46001465

About N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 46001465) has the molecular formula C29H29N5O4 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 46001465
• Molecular Formula: C29H29N5O4
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.22
• IUPAC Name: N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccco4)CC3)nn2)c1
• InChI: InChI=1S/C29H29N5O4/c1-37-24-10-5-9-23(19-24)25-12-13-27(31-30-25)32-14-16-33(17-15-32)28(35)21-34(20-22-7-3-2-4-8-22)29(36)26-11-6-18-38-26/h2-13,18-19H,14-17,20-21H2,1H3
• InChIKey: PNULJSSJGNZMPX-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 92.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 46001465) is N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccco4)CC3)nn2)c1.

What is the InChIKey of N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is PNULJSSJGNZMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4/c1-37-24-10-5-9-23(19-24)25-12-13-27(31-30-25)32-14-16-33(17-15-32)28(35)21-34(20-22-7-3-2-4-8-22)29(36)26-11-6-18-38-26/h2-13,18-19H,14-17,20-21H2,1H3.

What are the key properties of N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 46001465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).