N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide

C18H21FN4O2 — CID 53129443

IUPACN-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N(C)c2ccc(F)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-11-16(21-18(20-13)23-9-3-4-10-23)25-12-17(24)22(2)15-7-5-14(19)6-8-15/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyWUOXBOHCAYIVRW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.57
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide

N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide (PubChem CID 53129443) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
PubChem CID53129443
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N(C)c2ccc(F)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H21FN4O2/c1-13-11-16(21-18(20-13)23-9-3-4-10-23)25-12-17(24)22(2)15-7-5-14(19)6-8-15/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyWUOXBOHCAYIVRW-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide (CID 53129443) is N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide is Cc1cc(OCC(=O)N(C)c2ccc(F)cc2)nc(N2CCCC2)n1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
The InChIKey is WUOXBOHCAYIVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-11-16(21-18(20-13)23-9-3-4-10-23)25-12-17(24)22(2)15-7-5-14(19)6-8-15/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide has a molecular weight of 344.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 53129443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).