N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide

C20H27N5O — CID 157444837

About N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 157444837) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 157444837
• Molecular Formula: C20H27N5O
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.22
• IUPAC Name: N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
• SMILES: Cc1ccc(N2C[C@@H](N)[C@@H](NC(=O)Cc3ccc(C(C)C)cc3)C2)nn1
• InChI: InChI=1S/C20H27N5O/c1-13(2)16-7-5-15(6-8-16)10-20(26)22-18-12-25(11-17(18)21)19-9-4-14(3)23-24-19/h4-9,13,17-18H,10-12,21H2,1-3H3,(H,22,26)/t17-,18+/m1/s1
• InChIKey: OORVYSSURYHWTI-MSOLQXFVSA-N
• XLogP: 1.78
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 157444837) is N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is Cc1ccc(N2C[C@@H](N)[C@@H](NC(=O)Cc3ccc(C(C)C)cc3)C2)nn1.

What is the InChIKey of N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is OORVYSSURYHWTI-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)16-7-5-15(6-8-16)10-20(26)22-18-12-25(11-17(18)21)19-9-4-14(3)23-24-19/h4-9,13,17-18H,10-12,21H2,1-3H3,(H,22,26)/t17-,18+/m1/s1.

What are the key properties of N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 157444837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).