6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile

C21H20F3N5O2 — CID 159019886

IUPAC6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Cc1ccc(C#N)cn1
InChIInChI=1S/C21H20F3N5O2/c1-13(2)18-12-28(16-5-6-19(27-10-16)21(22,23)24)20(31)29(18)11-17(30)7-15-4-3-14(8-25)9-26-15/h3-6,9-10,13,18H,7,11-12H2,1-2H3/t18-/m1/s1
InChIKeyJTOASOMHQWWBFP-GOSISDBHSA-N
MW431.42 g/mol
LogP3.45
Rot. Bonds6

About 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile

6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile (PubChem CID 159019886) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile
PubChem CID159019886
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Cc1ccc(C#N)cn1
InChIInChI=1S/C21H20F3N5O2/c1-13(2)18-12-28(16-5-6-19(27-10-16)21(22,23)24)20(31)29(18)11-17(30)7-15-4-3-14(8-25)9-26-15/h3-6,9-10,13,18H,7,11-12H2,1-2H3/t18-/m1/s1
InChIKeyJTOASOMHQWWBFP-GOSISDBHSA-N
XLogP3.45
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile (CID 159019886) is 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile is CC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Cc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile?
The InChIKey is JTOASOMHQWWBFP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-13(2)18-12-28(16-5-6-19(27-10-16)21(22,23)24)20(31)29(18)11-17(30)7-15-4-3-14(8-25)9-26-15/h3-6,9-10,13,18H,7,11-12H2,1-2H3/t18-/m1/s1.
What are the key properties of 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile?
6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile has a molecular weight of 431.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile is sourced from PubChem (CID 159019886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).