2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C21H24F3N5O3 — CID 90321845

IUPAC2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCCOc1ccc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C(F)(F)F)ccn3)C2=O)nc1
InChIInChI=1S/C21H24F3N5O3/c1-4-32-15-5-6-18(26-10-15)29-11-16(13(2)3)28(20(29)31)12-19(30)27-17-9-14(7-8-25-17)21(22,23)24/h5-10,13,16H,4,11-12H2,1-3H3,(H,25,27,30)/t16-/m1/s1
InChIKeyBWBRNHPDRJVNNF-MRXNPFEDSA-N
MW451.45 g/mol
LogP3.80
Rot. Bonds7

About 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 90321845) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID90321845
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC Name2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCCOc1ccc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C(F)(F)F)ccn3)C2=O)nc1
InChIInChI=1S/C21H24F3N5O3/c1-4-32-15-5-6-18(26-10-15)29-11-16(13(2)3)28(20(29)31)12-19(30)27-17-9-14(7-8-25-17)21(22,23)24/h5-10,13,16H,4,11-12H2,1-3H3,(H,25,27,30)/t16-/m1/s1
InChIKeyBWBRNHPDRJVNNF-MRXNPFEDSA-N
XLogP3.80
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 90321845) is 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is CCOc1ccc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C(F)(F)F)ccn3)C2=O)nc1.
What is the InChIKey of 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is BWBRNHPDRJVNNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-4-32-15-5-6-18(26-10-15)29-11-16(13(2)3)28(20(29)31)12-19(30)27-17-9-14(7-8-25-17)21(22,23)24/h5-10,13,16H,4,11-12H2,1-3H3,(H,25,27,30)/t16-/m1/s1.
What are the key properties of 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 451.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(5-ethoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90321845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).