N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide

C30H35N5O2 — CID 46006196

About N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide

N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide (PubChem CID 46006196) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
• PubChem CID: 46006196
• Molecular Formula: C30H35N5O2
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.28
• IUPAC Name: N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
• SMILES: CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)CC1CC1
• InChI: InChI=1S/C30H35N5O2/c1-22(2)30(37)35(20-23-8-9-23)21-29(36)34-18-16-33(17-19-34)28-15-14-27(31-32-28)26-12-10-25(11-13-26)24-6-4-3-5-7-24/h3-7,10-15,22-23H,8-9,16-21H2,1-2H3
• InChIKey: AWAVQPMWZXPTEW-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide?

The IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide (CID 46006196) is N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide is CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)CC1CC1.

What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide?

The InChIKey is AWAVQPMWZXPTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-22(2)30(37)35(20-23-8-9-23)21-29(36)34-18-16-33(17-19-34)28-15-14-27(31-32-28)26-12-10-25(11-13-26)24-6-4-3-5-7-24/h3-7,10-15,22-23H,8-9,16-21H2,1-2H3.

What are the key properties of N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide?

N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide has a molecular weight of 497.64 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 46006196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).