N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide

C25H27N5O3 — CID 145224794

About N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide

N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 145224794) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
• PubChem CID: 145224794
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
• SMILES: CO[C@@](C)(C(=O)N1CC[C@@H](c2ccc(NC(=O)Cc3ccccn3)nn2)C1)c1ccccc1
• InChI: InChI=1S/C25H27N5O3/c1-25(33-2,19-8-4-3-5-9-19)24(32)30-15-13-18(17-30)21-11-12-22(29-28-21)27-23(31)16-20-10-6-7-14-26-20/h3-12,14,18H,13,15-17H2,1-2H3,(H,27,29,31)/t18-,25-/m1/s1
• InChIKey: YSOOTLKLMHRWSB-IQGLISFBSA-N
• XLogP: 2.93
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide (CID 145224794) is N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide is CO[C@@](C)(C(=O)N1CC[C@@H](c2ccc(NC(=O)Cc3ccccn3)nn2)C1)c1ccccc1.

What is the InChIKey of N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

The InChIKey is YSOOTLKLMHRWSB-IQGLISFBSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(33-2,19-8-4-3-5-9-19)24(32)30-15-13-18(17-30)21-11-12-22(29-28-21)27-23(31)16-20-10-6-7-14-26-20/h3-12,14,18H,13,15-17H2,1-2H3,(H,27,29,31)/t18-,25-/m1/s1.

What are the key properties of N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?

N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide has a molecular weight of 445.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 145224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).