N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide

C16H27N3O7 — CID 11710513

About N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide

N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide (PubChem CID 11710513) has the molecular formula C16H27N3O7 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide
• PubChem CID: 11710513
• Molecular Formula: C16H27N3O7
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.18
• IUPAC Name: N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide
• SMILES: CC(=O)NCCCCCCN1C(=O)C(=O)N2[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)[C@@H]12
• InChI: InChI=1S/C16H27N3O7/c1-9(21)17-6-4-2-3-5-7-18-14-13(24)12(23)11(22)10(8-20)19(14)16(26)15(18)25/h10-14,20,22-24H,2-8H2,1H3,(H,17,21)/t10-,11-,12+,13+,14+/m1/s1
• InChIKey: BKLLSCNAKOMECS-DGTMBMJNSA-N
• XLogP: -2.86
• TPSA: 150.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	-2.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide?

The IUPAC name of N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide (CID 11710513) is N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide.

What is the SMILES notation for N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide?

The canonical SMILES for N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide is CC(=O)NCCCCCCN1C(=O)C(=O)N2[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)[C@@H]12.

What is the InChIKey of N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide?

The InChIKey is BKLLSCNAKOMECS-DGTMBMJNSA-N. The full InChI is InChI=1S/C16H27N3O7/c1-9(21)17-6-4-2-3-5-7-18-14-13(24)12(23)11(22)10(8-20)19(14)16(26)15(18)25/h10-14,20,22-24H,2-8H2,1H3,(H,17,21)/t10-,11-,12+,13+,14+/m1/s1.

What are the key properties of N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide?

N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of -2.86, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-2,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridin-1-yl]hexyl]acetamide is sourced from PubChem (CID 11710513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).