N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide

C17H19FN4O3 — CID 163350759

IUPACN-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
SMILESCOc1cnc(OC2CCN(CC(=O)Nc3ccc(F)cc3)C2)nc1
InChIInChI=1S/C17H19FN4O3/c1-24-15-8-19-17(20-9-15)25-14-6-7-22(10-14)11-16(23)21-13-4-2-12(18)3-5-13/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyMQHFGNLBYYAZPP-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.72
Rot. Bonds6

About N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide (PubChem CID 163350759) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
PubChem CID163350759
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
SMILESCOc1cnc(OC2CCN(CC(=O)Nc3ccc(F)cc3)C2)nc1
InChIInChI=1S/C17H19FN4O3/c1-24-15-8-19-17(20-9-15)25-14-6-7-22(10-14)11-16(23)21-13-4-2-12(18)3-5-13/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyMQHFGNLBYYAZPP-UHFFFAOYSA-N
XLogP1.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350806
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350899
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
CID 171704756
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 165434146
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701129

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide (CID 163350759) is N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide is COc1cnc(OC2CCN(CC(=O)Nc3ccc(F)cc3)C2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
The InChIKey is MQHFGNLBYYAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-24-15-8-19-17(20-9-15)25-14-6-7-22(10-14)11-16(23)21-13-4-2-12(18)3-5-13/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 163350759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).