N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide

C17H15F3N4O2 — CID 171497120

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 171497120) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
• PubChem CID: 171497120
• Molecular Formula: C17H15F3N4O2
• Molecular Weight: 364.33 g/mol
• Exact Mass: 364.11
• IUPAC Name: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
• SMILES: C[C@H](NC(=O)CN1Cc2cc(F)cnc2NC1=O)c1ccc(F)cc1F
• InChI: InChI=1S/C17H15F3N4O2/c1-9(13-3-2-11(18)5-14(13)20)22-15(25)8-24-7-10-4-12(19)6-21-16(10)23-17(24)26/h2-6,9H,7-8H2,1H3,(H,22,25)(H,21,23,26)/t9-/m0/s1
• InChIKey: TYYQEWNDMGXZRS-VIFPVBQESA-N
• XLogP: 2.72
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.33
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?

The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 171497120) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide is C[C@H](NC(=O)CN1Cc2cc(F)cnc2NC1=O)c1ccc(F)cc1F.

What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?

The InChIKey is TYYQEWNDMGXZRS-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-9(13-3-2-11(18)5-14(13)20)22-15(25)8-24-7-10-4-12(19)6-21-16(10)23-17(24)26/h2-6,9H,7-8H2,1H3,(H,22,25)(H,21,23,26)/t9-/m0/s1.

What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide?

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 364.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 171497120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).