2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C28H30N8O2 — CID 118396876

About 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 118396876) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 118396876
• Molecular Formula: C28H30N8O2
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.25
• IUPAC Name: 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: O=C(Cc1ccccn1)NC1=CC=C([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccccn4)nn3)C2)NN1
• InChI: InChI=1S/C28H30N8O2/c37-27(17-21-8-1-3-14-29-21)31-25-12-10-23(33-35-25)19-6-5-7-20(16-19)24-11-13-26(36-34-24)32-28(38)18-22-9-2-4-15-30-22/h1-4,8-15,19-20,33,35H,5-7,16-18H2,(H,31,37)(H,32,36,38)/t19-,20-/m0/s1
• InChIKey: QDXXNSVTLOHDAR-PMACEKPBSA-N
• XLogP: 2.91
• TPSA: 133.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 118396876) is 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1ccccn1)NC1=CC=C([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccccn4)nn3)C2)NN1.

What is the InChIKey of 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is QDXXNSVTLOHDAR-PMACEKPBSA-N. The full InChI is InChI=1S/C28H30N8O2/c37-27(17-21-8-1-3-14-29-21)31-25-12-10-23(33-35-25)19-6-5-7-20(16-19)24-11-13-26(36-34-24)32-28(38)18-22-9-2-4-15-30-22/h1-4,8-15,19-20,33,35H,5-7,16-18H2,(H,31,37)(H,32,36,38)/t19-,20-/m0/s1.

What are the key properties of 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 510.60 g/mol, XLogP of 2.91, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]-1,2-dihydropyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 118396876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).