N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide

C21H19FN4O3 — CID 155510433

About N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide

N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide (PubChem CID 155510433) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide
• PubChem CID: 155510433
• Molecular Formula: C21H19FN4O3
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.14
• IUPAC Name: N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide
• SMILES: O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12
• InChI: InChI=1S/C21H19FN4O3/c22-11-15(27)12-23-21(29)19(10-14-6-2-1-3-7-14)25-20(28)17-13-24-26-18-9-5-4-8-16(17)18/h1-9,13,19H,10-12H2,(H,23,29)(H,25,28)/t19-/m0/s1
• InChIKey: JTZHZTGBVTUESQ-IBGZPJMESA-N
• XLogP: 1.63
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide?

The IUPAC name of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide (CID 155510433) is N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide?

The canonical SMILES for N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide is O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12.

What is the InChIKey of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide?

The InChIKey is JTZHZTGBVTUESQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-11-15(27)12-23-21(29)19(10-14-6-2-1-3-7-14)25-20(28)17-13-24-26-18-9-5-4-8-16(17)18/h1-9,13,19H,10-12H2,(H,23,29)(H,25,28)/t19-/m0/s1.

What are the key properties of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide?

N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide is sourced from PubChem (CID 155510433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).