3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide

C22H21ClN6O — CID 134000627

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 134000627) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
• PubChem CID: 134000627
• Molecular Formula: C22H21ClN6O
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.15
• IUPAC Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3cnn(-c4ccccc4)c3)n2)n1
• InChI: InChI=1S/C22H21ClN6O/c1-15-12-16(2)29(27-15)20-9-8-19(23)21(26-20)22(30)24-11-10-17-13-25-28(14-17)18-6-4-3-5-7-18/h3-9,12-14H,10-11H2,1-2H3,(H,24,30)
• InChIKey: WSSJJOLKVIETJH-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide (CID 134000627) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3cnn(-c4ccccc4)c3)n2)n1.

What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide?

The InChIKey is WSSJJOLKVIETJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-15-12-16(2)29(27-15)20-9-8-19(23)21(26-20)22(30)24-11-10-17-13-25-28(14-17)18-6-4-3-5-7-18/h3-9,12-14H,10-11H2,1-2H3,(H,24,30).

What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide?

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 134000627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).