N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide

C22H23FN4O2 — CID 136891450

About N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide

N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide (PubChem CID 136891450) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide
• PubChem CID: 136891450
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide
• SMILES: CC(C)c1nc(C[C@H](NC(=O)Cc2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1
• InChI: InChI=1S/C22H23FN4O2/c1-14(2)22-25-18(13-21(29)27-22)11-19(15-6-8-16(23)9-7-15)26-20(28)12-17-5-3-4-10-24-17/h3-10,13-14,19H,11-12H2,1-2H3,(H,26,28)(H,25,27,29)/t19-/m0/s1
• InChIKey: DNVZVVWJRINGDD-IBGZPJMESA-N
• XLogP: 3.07
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide (CID 136891450) is N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide.

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

The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide is CC(C)c1nc(C[C@H](NC(=O)Cc2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1.

What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide?

The InChIKey is DNVZVVWJRINGDD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14(2)22-25-18(13-21(29)27-22)11-19(15-6-8-16(23)9-7-15)26-20(28)12-17-5-3-4-10-24-17/h3-10,13-14,19H,11-12H2,1-2H3,(H,26,28)(H,25,27,29)/t19-/m0/s1.

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

N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide has a molecular weight of 394.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 136891450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).