[7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate

C30H27N3O6 — CID 130273930

About [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate

[7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate (PubChem CID 130273930) has the molecular formula C30H27N3O6 and a molecular weight of 525.56 g/mol. Its IUPAC name is [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate
• PubChem CID: 130273930
• Molecular Formula: C30H27N3O6
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.19
• IUPAC Name: [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate
• SMILES: Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(OC(=O)O)[nH]c23)cc(C(N)=O)c(=O)n1C
• InChI: InChI=1S/C30H27N3O6/c1-17-23(16-24(27(31)34)29(35)33(17)2)21-12-6-11-20-22(28(32-26(20)21)39-30(36)37)13-7-15-38-25-14-5-9-18-8-3-4-10-19(18)25/h3-6,8-12,14,16,32H,7,13,15H2,1-2H3,(H2,31,34)(H,36,37)
• InChIKey: WKPAEDXWJWVKPL-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 136.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The IUPAC name of [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate (CID 130273930) is [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate.

What is the SMILES notation for [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The canonical SMILES for [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate is Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(OC(=O)O)[nH]c23)cc(C(N)=O)c(=O)n1C.

What is the InChIKey of [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The InChIKey is WKPAEDXWJWVKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O6/c1-17-23(16-24(27(31)34)29(35)33(17)2)21-12-6-11-20-22(28(32-26(20)21)39-30(36)37)13-7-15-38-25-14-5-9-18-8-3-4-10-19(18)25/h3-6,8-12,14,16,32H,7,13,15H2,1-2H3,(H2,31,34)(H,36,37).

What are the key properties of [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

[7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate has a molecular weight of 525.56 g/mol, XLogP of 5.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(5-carbamoyl-1,2-dimethyl-6-oxo-3-pyridinyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate is sourced from PubChem (CID 130273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).