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

C23H19ClN6O2 — CID 78861473

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

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide (PubChem CID 78861473) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
• PubChem CID: 78861473
• Molecular Formula: C23H19ClN6O2
• Molecular Weight: 446.90 g/mol
• Exact Mass: 446.13
• IUPAC Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)n2)n1
• InChI: InChI=1S/C23H19ClN6O2/c1-14-12-15(2)30(29-14)20-7-6-19(24)21(28-20)23(32)27-18-5-3-4-17(13-18)26-22(31)16-8-10-25-11-9-16/h3-13H,1-2H3,(H,26,31)(H,27,32)
• InChIKey: VYXAJJGYDWNVRZ-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.90
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide (CID 78861473) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)n2)n1.

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

The InChIKey is VYXAJJGYDWNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c1-14-12-15(2)30(29-14)20-7-6-19(24)21(28-20)23(32)27-18-5-3-4-17(13-18)26-22(31)16-8-10-25-11-9-16/h3-13H,1-2H3,(H,26,31)(H,27,32).

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

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 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-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 78861473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).