2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide

C25H21FN4O2 — CID 136682072

About 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide

2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide (PubChem CID 136682072) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
• PubChem CID: 136682072
• Molecular Formula: C25H21FN4O2
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.16
• IUPAC Name: 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
• SMILES: O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1
• InChI: InChI=1S/C25H21FN4O2/c26-21-11-5-4-9-18(21)13-23(31)29-22(17-7-2-1-3-8-17)14-20-15-24(32)30-25(28-20)19-10-6-12-27-16-19/h1-12,15-16,22H,13-14H2,(H,29,31)(H,28,30,32)/t22-/m0/s1
• InChIKey: OQWNOSWVJIQCPO-QFIPXVFZSA-N
• XLogP: 3.61
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?

The IUPAC name of 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide (CID 136682072) is 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?

The canonical SMILES for 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide is O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1.

What is the InChIKey of 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?

The InChIKey is OQWNOSWVJIQCPO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-21-11-5-4-9-18(21)13-23(31)29-22(17-7-2-1-3-8-17)14-20-15-24(32)30-25(28-20)19-10-6-12-27-16-19/h1-12,15-16,22H,13-14H2,(H,29,31)(H,28,30,32)/t22-/m0/s1.

What are the key properties of 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?

2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 136682072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).