(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C26H29ClN4O3 — CID 97414234

About (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 97414234) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 97414234
• Molecular Formula: C26H29ClN4O3
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.19
• IUPAC Name: (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)c(C)c4)nn3)C2)cc1Cl
• InChI: InChI=1S/C26H29ClN4O3/c1-16-7-8-18(12-17(16)2)21-9-10-25(30-29-21)31-11-5-6-19(15-31)26(32)28-22-13-20(27)23(33-3)14-24(22)34-4/h7-10,12-14,19H,5-6,11,15H2,1-4H3,(H,28,32)/t19-/m1/s1
• InChIKey: GFZWZGSJRILNIM-LJQANCHMSA-N
• XLogP: 5.29
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 97414234) is (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)c(C)c4)nn3)C2)cc1Cl.

What is the InChIKey of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The InChIKey is GFZWZGSJRILNIM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-16-7-8-18(12-17(16)2)21-9-10-25(30-29-21)31-11-5-6-19(15-31)26(32)28-22-13-20(27)23(33-3)14-24(22)34-4/h7-10,12-14,19H,5-6,11,15H2,1-4H3,(H,28,32)/t19-/m1/s1.

What are the key properties of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97414234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).