2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide

C20H17F3N4O — CID 25217825

IUPAC2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1)C(F)(F)F
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)18(28)25-16-8-10-27(12-16)19-24-9-7-17(26-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,9,11,16H,8,10,12H2,(H,25,28)/t16-/m1/s1
InChIKeyLXIUVBGPQFCECW-MRXNPFEDSA-N
MW386.38 g/mol
LogP3.55
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 25217825) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID25217825
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1)C(F)(F)F
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)18(28)25-16-8-10-27(12-16)19-24-9-7-17(26-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,9,11,16H,8,10,12H2,(H,25,28)/t16-/m1/s1
InChIKeyLXIUVBGPQFCECW-MRXNPFEDSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide (CID 25217825) is 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide is O=C(N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is LXIUVBGPQFCECW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)18(28)25-16-8-10-27(12-16)19-24-9-7-17(26-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,9,11,16H,8,10,12H2,(H,25,28)/t16-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 386.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 25217825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).