3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C21H22ClN5O2 — CID 55348261

About 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 55348261) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
• PubChem CID: 55348261
• Molecular Formula: C21H22ClN5O2
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.15
• IUPAC Name: 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC(=O)Nc3c(C)cccc3C)n2)n1
• InChI: InChI=1S/C21H22ClN5O2/c1-12-6-5-7-13(2)19(12)25-18(28)11-23-21(29)20-16(22)8-9-17(24-20)27-15(4)10-14(3)26-27/h5-10H,11H2,1-4H3,(H,23,29)(H,25,28)
• InChIKey: DKIGRMLVTVMNTQ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 55348261) is 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC(=O)Nc3c(C)cccc3C)n2)n1.

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

The InChIKey is DKIGRMLVTVMNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-12-6-5-7-13(2)19(12)25-18(28)11-23-21(29)20-16(22)8-9-17(24-20)27-15(4)10-14(3)26-27/h5-10H,11H2,1-4H3,(H,23,29)(H,25,28).

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

3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 55348261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).