(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C24H30N6O2 — CID 95115892

About (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 95115892) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 95115892
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
• InChI: InChI=1S/C24H30N6O2/c1-17-22(18(2)28(3)27-17)14-25-24(32)20-10-7-11-29(16-20)21-12-23(31)30(26-13-21)15-19-8-5-4-6-9-19/h4-6,8-9,12-13,20H,7,10-11,14-16H2,1-3H3,(H,25,32)/t20-/m1/s1
• InChIKey: VVNBURPAZYZEAO-HXUWFJFHSA-N
• XLogP: 2.17
• 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	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 95115892) is (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1.

What is the InChIKey of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?

The InChIKey is VVNBURPAZYZEAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-22(18(2)28(3)27-17)14-25-24(32)20-10-7-11-29(16-20)21-12-23(31)30(26-13-21)15-19-8-5-4-6-9-19/h4-6,8-9,12-13,20H,7,10-11,14-16H2,1-3H3,(H,25,32)/t20-/m1/s1.

What are the key properties of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95115892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).