ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate

C26H29N5O4 — CID 25120602

About ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate

ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate (PubChem CID 25120602) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate
• PubChem CID: 25120602
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(Cn2nc(-c3ccc(C(=O)NC4CCNCC4)cc3)ccc2=O)c1
• InChI: InChI=1S/C26H29N5O4/c1-2-35-26(34)29-22-5-3-4-18(16-22)17-31-24(32)11-10-23(30-31)19-6-8-20(9-7-19)25(33)28-21-12-14-27-15-13-21/h3-11,16,21,27H,2,12-15,17H2,1H3,(H,28,33)(H,29,34)
• InChIKey: PHSRDQFWOKEYOG-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 114.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate?

The IUPAC name of ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate (CID 25120602) is ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate.

What is the SMILES notation for ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate?

The canonical SMILES for ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate is CCOC(=O)Nc1cccc(Cn2nc(-c3ccc(C(=O)NC4CCNCC4)cc3)ccc2=O)c1.

What is the InChIKey of ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate?

The InChIKey is PHSRDQFWOKEYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-2-35-26(34)29-22-5-3-4-18(16-22)17-31-24(32)11-10-23(30-31)19-6-8-20(9-7-19)25(33)28-21-12-14-27-15-13-21/h3-11,16,21,27H,2,12-15,17H2,1H3,(H,28,33)(H,29,34).

What are the key properties of ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate?

ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate has a molecular weight of 475.55 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-[[6-oxo-3-[4-(piperidin-4-ylcarbamoyl)phenyl]pyridazin-1-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 25120602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).