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

C21H29N5O — CID 158954964

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

N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 158954964) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 158954964
• Molecular Formula: C21H29N5O
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.24
• IUPAC Name: N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
• SMILES: CN[C@H]1CN(c2ccc(C)nn2)C[C@H]1NC(=O)Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/C21H29N5O/c1-14(2)17-8-6-16(7-9-17)11-21(27)23-19-13-26(12-18(19)22-4)20-10-5-15(3)24-25-20/h5-10,14,18-19,22H,11-13H2,1-4H3,(H,23,27)/t18-,19+/m0/s1
• InChIKey: KGDYJASKYHLHPV-RBUKOAKNSA-N
• XLogP: 2.04
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 158954964) is N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is CN[C@H]1CN(c2ccc(C)nn2)C[C@H]1NC(=O)Cc1ccc(C(C)C)cc1.

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

The InChIKey is KGDYJASKYHLHPV-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14(2)17-8-6-16(7-9-17)11-21(27)23-19-13-26(12-18(19)22-4)20-10-5-15(3)24-25-20/h5-10,14,18-19,22H,11-13H2,1-4H3,(H,23,27)/t18-,19+/m0/s1.

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

N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 158954964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).