3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide

C24H30N8O2 — CID 124990633

About 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide

3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide (PubChem CID 124990633) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
• PubChem CID: 124990633
• Molecular Formula: C24H30N8O2
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.25
• IUPAC Name: 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
• SMILES: CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2CC(=O)Nc2ccn(C)n2)n1
• InChI: InChI=1S/C24H30N8O2/c1-30(2)24-26-14-18(16-7-6-8-17(13-16)23(25)34)22(28-24)19-9-4-5-11-32(19)15-21(33)27-20-10-12-31(3)29-20/h6-8,10,12-14,19H,4-5,9,11,15H2,1-3H3,(H2,25,34)(H,27,29,33)/t19-/m1/s1
• InChIKey: PDCQXLXJWDIMLB-LJQANCHMSA-N
• XLogP: 2.21
• TPSA: 122.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?

The IUPAC name of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide (CID 124990633) is 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide.

What is the SMILES notation for 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?

The canonical SMILES for 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide is CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2CC(=O)Nc2ccn(C)n2)n1.

What is the InChIKey of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?

The InChIKey is PDCQXLXJWDIMLB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-30(2)24-26-14-18(16-7-6-8-17(13-16)23(25)34)22(28-24)19-9-4-5-11-32(19)15-21(33)27-20-10-12-31(3)29-20/h6-8,10,12-14,19H,4-5,9,11,15H2,1-3H3,(H2,25,34)(H,27,29,33)/t19-/m1/s1.

What are the key properties of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?

3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide has a molecular weight of 462.56 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 124990633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).