N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

C23H30N6O — CID 86894509

About N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide

N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 86894509) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
• PubChem CID: 86894509
• Molecular Formula: C23H30N6O
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.25
• IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
• SMILES: Cc1cccc(N(CCC#N)C(=O)CN(C)CC2CCCN2c2cccnn2)c1C
• InChI: InChI=1S/C23H30N6O/c1-18-8-4-10-21(19(18)2)29(15-7-12-24)23(30)17-27(3)16-20-9-6-14-28(20)22-11-5-13-25-26-22/h4-5,8,10-11,13,20H,6-7,9,14-17H2,1-3H3
• InChIKey: JQECNAMZUUVOMK-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 76.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?

The IUPAC name of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide (CID 86894509) is N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is Cc1cccc(N(CCC#N)C(=O)CN(C)CC2CCCN2c2cccnn2)c1C.

What is the InChIKey of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?

The InChIKey is JQECNAMZUUVOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-18-8-4-10-21(19(18)2)29(15-7-12-24)23(30)17-27(3)16-20-9-6-14-28(20)22-11-5-13-25-26-22/h4-5,8,10-11,13,20H,6-7,9,14-17H2,1-3H3.

What are the key properties of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide?

N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 86894509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).