N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H23F3N4O3 — CID 90492162

IUPACN-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc(N2CCCC2)n1
InChIInChI=1S/C20H23F3N4O3/c1-14-25-17(27-8-2-3-9-27)12-19(26-14)29-10-7-24-18(28)13-30-16-6-4-5-15(11-16)20(21,22)23/h4-6,11-12H,2-3,7-10,13H2,1H3,(H,24,28)
InChIKeyVXDNIPAMCBVBQO-UHFFFAOYSA-N
MW424.42 g/mol
LogP2.98
Rot. Bonds8

About N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 90492162) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID90492162
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc(N2CCCC2)n1
InChIInChI=1S/C20H23F3N4O3/c1-14-25-17(27-8-2-3-9-27)12-19(26-14)29-10-7-24-18(28)13-30-16-6-4-5-15(11-16)20(21,22)23/h4-6,11-12H,2-3,7-10,13H2,1H3,(H,24,28)
InChIKeyVXDNIPAMCBVBQO-UHFFFAOYSA-N
XLogP2.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-2-pyridin-3-yloxyacetamide
CID 90492056
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492281
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(trifluoromethyl)benzamide
CID 90491773
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492143
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
2-(2-fluorophenoxy)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491762
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491961

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 90492162) is N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1nc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc(N2CCCC2)n1.
What is the InChIKey of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is VXDNIPAMCBVBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-14-25-17(27-8-2-3-9-27)12-19(26-14)29-10-7-24-18(28)13-30-16-6-4-5-15(11-16)20(21,22)23/h4-6,11-12H,2-3,7-10,13H2,1H3,(H,24,28).
What are the key properties of N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 424.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 90492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).