2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C21H21F3N6O2 — CID 90321792

IUPAC2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(C)(C)[C@H]1CN(c2ccc(C#N)nc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C21H21F3N6O2/c1-20(2,3)16-11-29(15-5-4-14(9-25)27-10-15)19(32)30(16)12-18(31)28-17-8-13(6-7-26-17)21(22,23)24/h4-8,10,16H,11-12H2,1-3H3,(H,26,28,31)/t16-/m1/s1
InChIKeyLVAVEGXBYVYEDJ-MRXNPFEDSA-N
MW446.43 g/mol
LogP3.66
Rot. Bonds4

About 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 90321792) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID90321792
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(C)(C)[C@H]1CN(c2ccc(C#N)nc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C21H21F3N6O2/c1-20(2,3)16-11-29(15-5-4-14(9-25)27-10-15)19(32)30(16)12-18(31)28-17-8-13(6-7-26-17)21(22,23)24/h4-8,10,16H,11-12H2,1-3H3,(H,26,28,31)/t16-/m1/s1
InChIKeyLVAVEGXBYVYEDJ-MRXNPFEDSA-N
XLogP3.66
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321893
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
CID 90321897
2-[(5S)-3-(6-cyano-3-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 86705190
2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321890
(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
CID 149014354
5-[(4S)-2-oxo-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-propan-2-ylimidazolidin-1-yl]pyridine-2-carbonitrile
CID 157083720
(4S)-4-tert-butyl-1-(6-ethyl-3-pyridinyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]imidazolidin-2-one
CID 157256357
2-[(5S)-5-[(2S)-butan-2-yl]-2-oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321931
2-[(5R)-5-[(1S)-1-fluoropropyl]-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321801
2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90321970
N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide
CID 90321966
5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129381162

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 90321792) is 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is CC(C)(C)[C@H]1CN(c2ccc(C#N)nc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is LVAVEGXBYVYEDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-20(2,3)16-11-29(15-5-4-14(9-25)27-10-15)19(32)30(16)12-18(31)28-17-8-13(6-7-26-17)21(22,23)24/h4-8,10,16H,11-12H2,1-3H3,(H,26,28,31)/t16-/m1/s1.
What are the key properties of 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 446.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-tert-butyl-3-(6-cyano-3-pyridinyl)-2-oxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90321792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).