(2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

C30H28FN5O4 — CID 59200241

About (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

(2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 59200241) has the molecular formula C30H28FN5O4 and a molecular weight of 541.58 g/mol. Its IUPAC name is (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
• PubChem CID: 59200241
• Molecular Formula: C30H28FN5O4
• Molecular Weight: 541.58 g/mol
• Exact Mass: 541.21
• IUPAC Name: (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
• SMILES: CN[C@H](C)C(=O)Nc1ccc(-c2cccc(NC(C)=O)c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O
• InChI: InChI=1S/C30H28FN5O4/c1-18(32-3)29(39)35-26-11-12-27(22-5-4-6-25(14-22)34-19(2)37)36(30(26)40)17-20-13-23(16-33-15-20)28(38)21-7-9-24(31)10-8-21/h4-16,18,32H,17H2,1-3H3,(H,34,37)(H,35,39)/t18-/m1/s1
• InChIKey: SYRWSUMOFBTZSQ-GOSISDBHSA-N
• XLogP: 3.83
• TPSA: 122.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.58
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?

The IUPAC name of (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (CID 59200241) is (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.

What is the SMILES notation for (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?

The canonical SMILES for (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is CN[C@H](C)C(=O)Nc1ccc(-c2cccc(NC(C)=O)c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O.

What is the InChIKey of (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?

The InChIKey is SYRWSUMOFBTZSQ-GOSISDBHSA-N. The full InChI is InChI=1S/C30H28FN5O4/c1-18(32-3)29(39)35-26-11-12-27(22-5-4-6-25(14-22)34-19(2)37)36(30(26)40)17-20-13-23(16-33-15-20)28(38)21-7-9-24(31)10-8-21/h4-16,18,32H,17H2,1-3H3,(H,34,37)(H,35,39)/t18-/m1/s1.

What are the key properties of (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?

(2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 541.58 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[6-(3-acetamidophenyl)-1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 59200241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).