N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide

C16H17N5O4 — CID 58182647

About N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide

N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide (PubChem CID 58182647) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 58182647
• Molecular Formula: C16H17N5O4
• Molecular Weight: 343.34 g/mol
• Exact Mass: 343.13
• IUPAC Name: N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide
• SMILES: CC(=O)Nc1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1
• InChI: InChI=1S/C16H17N5O4/c1-8(12-6-13(21-25-12)19-9(2)22)5-11(23)15-10-3-4-14(24)20-16(10)18-7-17-15/h6-8H,3-5H2,1-2H3,(H,19,21,22)(H,17,18,20,24)/t8-/m0/s1
• InChIKey: CBIPJSQGQVFKNI-QMMMGPOBSA-N
• XLogP: 1.68
• TPSA: 127.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.34
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide?

The IUPAC name of N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide (CID 58182647) is N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide.

What is the SMILES notation for N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide is CC(=O)Nc1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1.

What is the InChIKey of N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide?

The InChIKey is CBIPJSQGQVFKNI-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-8(12-6-13(21-25-12)19-9(2)22)5-11(23)15-10-3-4-14(24)20-16(10)18-7-17-15/h6-8H,3-5H2,1-2H3,(H,19,21,22)(H,17,18,20,24)/t8-/m0/s1.

What are the key properties of N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide?

N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 343.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 58182647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).