2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C21H24N4O2 — CID 70764529

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N4O2/c1-4-19-20(11-10-16(2)23-19)27-15-21(26)24(3)13-17-12-22-25(14-17)18-8-6-5-7-9-18/h5-12,14H,4,13,15H2,1-3H3
InChIKeyDTKUMGCUFQHXPW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.18
Rot. Bonds7

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 70764529) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID70764529
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N4O2/c1-4-19-20(11-10-16(2)23-19)27-15-21(26)24(3)13-17-12-22-25(14-17)18-8-6-5-7-9-18/h5-12,14H,4,13,15H2,1-3H3
InChIKeyDTKUMGCUFQHXPW-UHFFFAOYSA-N
XLogP3.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950432
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 18127668
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 77083425
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 70764529) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CCc1nc(C)ccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is DTKUMGCUFQHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-19-20(11-10-16(2)23-19)27-15-21(26)24(3)13-17-12-22-25(14-17)18-8-6-5-7-9-18/h5-12,14H,4,13,15H2,1-3H3.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 70764529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).