3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide

C25H32N6O3 — CID 143752460

About 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide

3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide (PubChem CID 143752460) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide
• PubChem CID: 143752460
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide
• SMILES: Cc1nnc(CN(C)C(=O)c2cccc(C(=O)NCCCNCc3cncc(C(C)C)c3)c2)o1
• InChI: InChI=1S/C25H32N6O3/c1-17(2)22-11-19(14-27-15-22)13-26-9-6-10-28-24(32)20-7-5-8-21(12-20)25(33)31(4)16-23-30-29-18(3)34-23/h5,7-8,11-12,14-15,17,26H,6,9-10,13,16H2,1-4H3,(H,28,32)
• InChIKey: DYQBTRWFSCCLRA-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 113.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide?

The IUPAC name of 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide (CID 143752460) is 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide is Cc1nnc(CN(C)C(=O)c2cccc(C(=O)NCCCNCc3cncc(C(C)C)c3)c2)o1.

What is the InChIKey of 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide?

The InChIKey is DYQBTRWFSCCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17(2)22-11-19(14-27-15-22)13-26-9-6-10-28-24(32)20-7-5-8-21(12-20)25(33)31(4)16-23-30-29-18(3)34-23/h5,7-8,11-12,14-15,17,26H,6,9-10,13,16H2,1-4H3,(H,28,32).

What are the key properties of 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide?

3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 143752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).