1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

C24H30N6O2 — CID 95114443

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 95114443) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 95114443
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1nn(C)cc1[C@H](C)NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
• InChI: InChI=1S/C24H30N6O2/c1-17(22-16-28(3)27-18(22)2)26-24(32)20-9-11-29(12-10-20)21-13-23(31)30(25-14-21)15-19-7-5-4-6-8-19/h4-8,13-14,16-17,20H,9-12,15H2,1-3H3,(H,26,32)/t17-/m0/s1
• InChIKey: IWGNVIPFYQXZSD-KRWDZBQOSA-N
• XLogP: 2.43
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (CID 95114443) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.

What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is IWGNVIPFYQXZSD-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(22-16-28(3)27-18(22)2)26-24(32)20-9-11-29(12-10-20)21-13-23(31)30(25-14-21)15-19-7-5-4-6-8-19/h4-8,13-14,16-17,20H,9-12,15H2,1-3H3,(H,26,32)/t17-/m0/s1.

What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 95114443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).