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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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).