N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide

C26H32N6O2 — CID 154640103

About N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide

N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 154640103) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 154640103
• Molecular Formula: C26H32N6O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.26
• IUPAC Name: N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: Cc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)NCCCN(C)C)o4)cc3c2C(C)C)cc(C)n1
• InChI: InChI=1S/C26H32N6O2/c1-15(2)22-20-14-18(25-30-31-26(34-25)24(33)27-10-7-11-32(5)6)8-9-21(20)29-23(22)19-12-16(3)28-17(4)13-19/h8-9,12-15,29H,7,10-11H2,1-6H3,(H,27,33)
• InChIKey: WTYHXIUDXQIVRO-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 99.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
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 N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide (CID 154640103) is N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide is Cc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)NCCCN(C)C)o4)cc3c2C(C)C)cc(C)n1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is WTYHXIUDXQIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-15(2)22-20-14-18(25-30-31-26(34-25)24(33)27-10-7-11-32(5)6)8-9-21(20)29-23(22)19-12-16(3)28-17(4)13-19/h8-9,12-15,29H,7,10-11H2,1-6H3,(H,27,33).

What are the key properties of N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide?

N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 154640103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).