N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H22N4O3 — CID 71064232

About N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 71064232) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 71064232
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)cc2C)C(=O)O1
• InChI: InChI=1S/C20H22N4O3/c1-13-8-16(23-10-15-4-3-7-21-18(15)12-23)5-6-19(13)24-11-17(27-20(24)26)9-22-14(2)25/h3-8,17H,9-12H2,1-2H3,(H,22,25)/t17-/m0/s1
• InChIKey: XERYSJRAOBIOHD-KRWDZBQOSA-N
• XLogP: 2.37
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 71064232) is N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)cc2C)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is XERYSJRAOBIOHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-8-16(23-10-15-4-3-7-21-18(15)12-23)5-6-19(13)24-11-17(27-20(24)26)9-22-14(2)25/h3-8,17H,9-12H2,1-2H3,(H,22,25)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 71064232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).