6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C25H28N6O3 — CID 169271228

About 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 169271228) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
• PubChem CID: 169271228
• Molecular Formula: C25H28N6O3
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.22
• IUPAC Name: 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
• SMILES: CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c(C)c3)CC2)nn1
• InChI: InChI=1S/C25H28N6O3/c1-3-8-27-24(33)22-6-7-23(29-28-22)30-9-11-31(12-10-30)25(34)18-4-5-21(17(2)13-18)19-14-20(32)16-26-15-19/h4-7,13-16,32H,3,8-12H2,1-2H3,(H,27,33)
• InChIKey: WLYDEYMEDFDZLV-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 111.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

The IUPAC name of 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 169271228) is 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c(C)c3)CC2)nn1.

What is the InChIKey of 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

The InChIKey is WLYDEYMEDFDZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-3-8-27-24(33)22-6-7-23(29-28-22)30-9-11-31(12-10-30)25(34)18-4-5-21(17(2)13-18)19-14-20(32)16-26-15-19/h4-7,13-16,32H,3,8-12H2,1-2H3,(H,27,33).

What are the key properties of 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?

6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 169271228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).