4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide

C25H35N3O2 — CID 175526198

About 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide

4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide (PubChem CID 175526198) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide
• PubChem CID: 175526198
• Molecular Formula: C25H35N3O2
• Molecular Weight: 409.57 g/mol
• Exact Mass: 409.27
• IUPAC Name: 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide
• SMILES: Cc1cc(O)cc(C)c1CC(CNC(=O)CC(CC1CC1)c1cccnc1)N(C)C
• InChI: InChI=1S/C25H35N3O2/c1-17-10-23(29)11-18(2)24(17)14-22(28(3)4)16-27-25(30)13-21(12-19-7-8-19)20-6-5-9-26-15-20/h5-6,9-11,15,19,21-22,29H,7-8,12-14,16H2,1-4H3,(H,27,30)
• InChIKey: MWWPHPXGZSCDHP-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide?

The IUPAC name of 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide (CID 175526198) is 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide.

What is the SMILES notation for 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide?

The canonical SMILES for 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide is Cc1cc(O)cc(C)c1CC(CNC(=O)CC(CC1CC1)c1cccnc1)N(C)C.

What is the InChIKey of 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide?

The InChIKey is MWWPHPXGZSCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-17-10-23(29)11-18(2)24(17)14-22(28(3)4)16-27-25(30)13-21(12-19-7-8-19)20-6-5-9-26-15-20/h5-6,9-11,15,19,21-22,29H,7-8,12-14,16H2,1-4H3,(H,27,30).

What are the key properties of 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide?

4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide has a molecular weight of 409.57 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 175526198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).