N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide

C28H35N5O5 — CID 93158145

About N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide (PubChem CID 93158145) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide
• PubChem CID: 93158145
• Molecular Formula: C28H35N5O5
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.26
• IUPAC Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide
• SMILES: CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccco1
• InChI: InChI=1S/C28H35N5O5/c1-5-20(2)18-33(28(35)24-7-6-16-38-24)19-27(34)32-14-12-31(13-15-32)26-11-10-23(29-30-26)22-9-8-21(36-3)17-25(22)37-4/h6-11,16-17,20H,5,12-15,18-19H2,1-4H3/t20-/m1/s1
• InChIKey: HALBHJVRTQXLAB-HXUWFJFHSA-N
• XLogP: 3.59
• TPSA: 101.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide (CID 93158145) is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide is CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccco1.

What is the InChIKey of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide?

The InChIKey is HALBHJVRTQXLAB-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-5-20(2)18-33(28(35)24-7-6-16-38-24)19-27(34)32-14-12-31(13-15-32)26-11-10-23(29-30-26)22-9-8-21(36-3)17-25(22)37-4/h6-11,16-17,20H,5,12-15,18-19H2,1-4H3/t20-/m1/s1.

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

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(2R)-2-methylbutyl]furan-2-carboxamide is sourced from PubChem (CID 93158145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).