N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide

C22H26N4O2 — CID 122556031

About N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide

N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide (PubChem CID 122556031) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
• PubChem CID: 122556031
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
• SMILES: CCc1ccc(CN(C)C(=O)c2cccc(-c3c(COC)n[nH]c3C)c2)nc1
• InChI: InChI=1S/C22H26N4O2/c1-5-16-9-10-19(23-12-16)13-26(3)22(27)18-8-6-7-17(11-18)21-15(2)24-25-20(21)14-28-4/h6-12H,5,13-14H2,1-4H3,(H,24,25)
• InChIKey: UIJKTHXXSWSMPI-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?

The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide (CID 122556031) is N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide.

What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?

The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2cccc(-c3c(COC)n[nH]c3C)c2)nc1.

What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?

The InChIKey is UIJKTHXXSWSMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-16-9-10-19(23-12-16)13-26(3)22(27)18-8-6-7-17(11-18)21-15(2)24-25-20(21)14-28-4/h6-12H,5,13-14H2,1-4H3,(H,24,25).

What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide?

N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide is sourced from PubChem (CID 122556031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).