5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide

C22H33N5O2 — CID 164635739

About 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide

5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide (PubChem CID 164635739) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide
• PubChem CID: 164635739
• Molecular Formula: C22H33N5O2
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.26
• IUPAC Name: 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide
• SMILES: Cc1ccc(N(C)C(C)C)c(C(=O)NC[C@H]2OCCN(C)[C@@H]2c2cnn(C)c2)c1
• InChI: InChI=1S/C22H33N5O2/c1-15(2)27(6)19-8-7-16(3)11-18(19)22(28)23-13-20-21(25(4)9-10-29-20)17-12-24-26(5)14-17/h7-8,11-12,14-15,20-21H,9-10,13H2,1-6H3,(H,23,28)/t20-,21-/m1/s1
• InChIKey: LDWAHZZXZGPHCP-NHCUHLMSSA-N
• XLogP: 2.37
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide?

The IUPAC name of 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide (CID 164635739) is 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide.

What is the SMILES notation for 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide?

The canonical SMILES for 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide is Cc1ccc(N(C)C(C)C)c(C(=O)NC[C@H]2OCCN(C)[C@@H]2c2cnn(C)c2)c1.

What is the InChIKey of 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide?

The InChIKey is LDWAHZZXZGPHCP-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-15(2)27(6)19-8-7-16(3)11-18(19)22(28)23-13-20-21(25(4)9-10-29-20)17-12-24-26(5)14-17/h7-8,11-12,14-15,20-21H,9-10,13H2,1-6H3,(H,23,28)/t20-,21-/m1/s1.

What are the key properties of 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide?

5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide has a molecular weight of 399.54 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 164635739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).