3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide

C20H22ClN7O — CID 112826428

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 112826428) has the molecular formula C20H22ClN7O and a molecular weight of 411.90 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide
• PubChem CID: 112826428
• Molecular Formula: C20H22ClN7O
• Molecular Weight: 411.90 g/mol
• Exact Mass: 411.16
• IUPAC Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CCN(c4ncccn4)CC3)n2)n1
• InChI: InChI=1S/C20H22ClN7O/c1-13-12-14(2)28(26-13)17-5-4-16(21)18(25-17)19(29)24-15-6-10-27(11-7-15)20-22-8-3-9-23-20/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,24,29)
• InChIKey: RNBVLJMELWVHAL-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.90
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide?

The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide (CID 112826428) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CCN(c4ncccn4)CC3)n2)n1.

What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide?

The InChIKey is RNBVLJMELWVHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O/c1-13-12-14(2)28(26-13)17-5-4-16(21)18(25-17)19(29)24-15-6-10-27(11-7-15)20-22-8-3-9-23-20/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,24,29).

What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide?

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 411.90 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112826428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).