3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

C21H24N4O2 — CID 125438528

About 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (PubChem CID 125438528) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
• PubChem CID: 125438528
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
• SMILES: Cc1cc(C[C@H](C)NC(=O)c2cccc(-c3cc(C)c(C)[nH]c3=O)c2)n[nH]1
• InChI: InChI=1S/C21H24N4O2/c1-12-8-19(21(27)23-15(12)4)16-6-5-7-17(11-16)20(26)22-13(2)9-18-10-14(3)24-25-18/h5-8,10-11,13H,9H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)/t13-/m0/s1
• InChIKey: KQORBBQUUPYJFQ-ZDUSSCGKSA-N
• XLogP: 3.05
• TPSA: 90.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?

The IUPAC name of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (CID 125438528) is 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.

What is the SMILES notation for 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?

The canonical SMILES for 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is Cc1cc(C[C@H](C)NC(=O)c2cccc(-c3cc(C)c(C)[nH]c3=O)c2)n[nH]1.

What is the InChIKey of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?

The InChIKey is KQORBBQUUPYJFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-12-8-19(21(27)23-15(12)4)16-6-5-7-17(11-16)20(26)22-13(2)9-18-10-14(3)24-25-18/h5-8,10-11,13H,9H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)/t13-/m0/s1.

What are the key properties of 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?

3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 125438528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).