3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide

C23H26N6O2 — CID 124956411

About 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide

3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 124956411) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
• PubChem CID: 124956411
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
• SMILES: CN(C)c1ncc(CN2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cn1
• InChI: InChI=1S/C23H26N6O2/c1-28(2)23-25-12-16(13-26-23)14-29-9-10-31-21(15-29)20-8-4-7-19(27-20)17-5-3-6-18(11-17)22(24)30/h3-8,11-13,21H,9-10,14-15H2,1-2H3,(H2,24,30)/t21-/m1/s1
• InChIKey: FRJNSVKEAZOGTN-OAQYLSRUSA-N
• XLogP: 2.28
• TPSA: 97.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide?

The IUPAC name of 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 124956411) is 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide is CN(C)c1ncc(CN2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cn1.

What is the InChIKey of 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide?

The InChIKey is FRJNSVKEAZOGTN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28(2)23-25-12-16(13-26-23)14-29-9-10-31-21(15-29)20-8-4-7-19(27-20)17-5-3-6-18(11-17)22(24)30/h3-8,11-13,21H,9-10,14-15H2,1-2H3,(H2,24,30)/t21-/m1/s1.

What are the key properties of 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide?

3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124956411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).