2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C30H34N10O2 — CID 129136098

About 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129136098) has the molecular formula C30H34N10O2 and a molecular weight of 566.67 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129136098
• Molecular Formula: C30H34N10O2
• Molecular Weight: 566.67 g/mol
• Exact Mass: 566.29
• IUPAC Name: 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: NCc1cccc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5cccc(CN)n5)nn4)C3)nn2)n1
• InChI: InChI=1S/C30H34N10O2/c31-17-23-8-2-6-21(33-23)15-29(41)35-27-12-10-25(37-39-27)19-4-1-5-20(14-19)26-11-13-28(40-38-26)36-30(42)16-22-7-3-9-24(18-32)34-22/h2-3,6-13,19-20H,1,4-5,14-18,31-32H2,(H,35,39,41)(H,36,40,42)/t19-,20-/m0/s1
• InChIKey: INKVPYWNWOGWQE-PMACEKPBSA-N
• XLogP: 2.78
• TPSA: 187.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.67
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129136098) is 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

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

The canonical SMILES for 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is NCc1cccc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5cccc(CN)n5)nn4)C3)nn2)n1.

What is the InChIKey of 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is INKVPYWNWOGWQE-PMACEKPBSA-N. The full InChI is InChI=1S/C30H34N10O2/c31-17-23-8-2-6-21(33-23)15-29(41)35-27-12-10-25(37-39-27)19-4-1-5-20(14-19)26-11-13-28(40-38-26)36-30(42)16-22-7-3-9-24(18-32)34-22/h2-3,6-13,19-20H,1,4-5,14-18,31-32H2,(H,35,39,41)(H,36,40,42)/t19-,20-/m0/s1.

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

2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 566.67 g/mol, XLogP of 2.78, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(aminomethyl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(aminomethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).