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

C20H22F3N5O3 — CID 90321997

IUPAC2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C(F)(F)F)ccn3)C2=O)nc1
InChIInChI=1S/C20H22F3N5O3/c1-12(2)15-10-28(17-5-4-14(31-3)9-25-17)19(30)27(15)11-18(29)26-16-8-13(6-7-24-16)20(21,22)23/h4-9,12,15H,10-11H2,1-3H3,(H,24,26,29)/t15-/m1/s1
InChIKeyYTFXQICXHFPDPN-OAHLLOKOSA-N
MW437.42 g/mol
LogP3.41
Rot. Bonds6

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

2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 90321997) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID90321997
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C(F)(F)F)ccn3)C2=O)nc1
InChIInChI=1S/C20H22F3N5O3/c1-12(2)15-10-28(17-5-4-14(31-3)9-25-17)19(30)27(15)11-18(29)26-16-8-13(6-7-24-16)20(21,22)23/h4-9,12,15H,10-11H2,1-3H3,(H,24,26,29)/t15-/m1/s1
InChIKeyYTFXQICXHFPDPN-OAHLLOKOSA-N
XLogP3.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.41
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-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 90321997) is 2-[(5S)-3-(5-methoxy-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-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is COc1ccc(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-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is YTFXQICXHFPDPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-12(2)15-10-28(17-5-4-14(31-3)9-25-17)19(30)27(15)11-18(29)26-16-8-13(6-7-24-16)20(21,22)23/h4-9,12,15H,10-11H2,1-3H3,(H,24,26,29)/t15-/m1/s1.
What are the key properties of 2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 437.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(5-methoxy-2-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90321997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).