6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C30H34N6O2 — CID 169271629

About 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 169271629) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
• PubChem CID: 169271629
• Molecular Formula: C30H34N6O2
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.27
• IUPAC Name: 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
• SMILES: CCCNC(=O)c1ccc(N2CCN(Cc3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)nn1
• InChI: InChI=1S/C30H34N6O2/c1-3-13-32-30(37)28-11-12-29(34-33-28)36-16-14-35(15-17-36)21-22-9-10-26(27-8-6-5-7-25(22)27)23-18-24(38-4-2)20-31-19-23/h5-12,18-20H,3-4,13-17,21H2,1-2H3,(H,32,37)
• InChIKey: GHAHKKORMXXJNB-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 169271629) is 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

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

The canonical SMILES for 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(Cc3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)nn1.

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

The InChIKey is GHAHKKORMXXJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-3-13-32-30(37)28-11-12-29(34-33-28)36-16-14-35(15-17-36)21-22-9-10-26(27-8-6-5-7-25(22)27)23-18-24(38-4-2)20-31-19-23/h5-12,18-20H,3-4,13-17,21H2,1-2H3,(H,32,37).

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

6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 169271629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).