N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide

C25H35N5O4 — CID 46001445

About N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide

N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46001445) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
• PubChem CID: 46001445
• Molecular Formula: C25H35N5O4
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.27
• IUPAC Name: N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
• SMILES: COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)CC(C)C
• InChI: InChI=1S/C25H35N5O4/c1-19(2)16-24(31)30(14-15-33-3)18-25(32)29-12-10-28(11-13-29)23-9-8-22(26-27-23)20-6-5-7-21(17-20)34-4/h5-9,17,19H,10-16,18H2,1-4H3
• InChIKey: SGSVCNNLQWQZPV-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 88.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide (CID 46001445) is N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide.

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

The canonical SMILES for N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide is COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)CC(C)C.

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

The InChIKey is SGSVCNNLQWQZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-19(2)16-24(31)30(14-15-33-3)18-25(32)29-12-10-28(11-13-29)23-9-8-22(26-27-23)20-6-5-7-21(17-20)34-4/h5-9,17,19H,10-16,18H2,1-4H3.

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

N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 469.59 g/mol, XLogP of 2.32, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46001445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).