2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide

C20H21ClF3N5O2 — CID 90321897

IUPAC2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
SMILESCC(C)(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C20H21ClF3N5O2/c1-19(2,3)15-10-28(13-4-5-14(26-9-13)20(22,23)24)18(31)29(15)11-17(30)27-16-8-12(21)6-7-25-16/h4-9,15H,10-11H2,1-3H3,(H,25,27,30)/t15-/m1/s1
InChIKeyYESKDJDYPAJBGP-OAHLLOKOSA-N
MW455.87 g/mol
LogP4.44
Rot. Bonds4

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

2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide (PubChem CID 90321897) has the molecular formula C20H21ClF3N5O2 and a molecular weight of 455.87 g/mol. Its IUPAC name is 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
PubChem CID90321897
Molecular FormulaC20H21ClF3N5O2
Molecular Weight455.87 g/mol
Exact Mass455.13
IUPAC Name2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
SMILESCC(C)(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C20H21ClF3N5O2/c1-19(2,3)15-10-28(13-4-5-14(26-9-13)20(22,23)24)18(31)29(15)11-17(30)27-16-8-12(21)6-7-25-16/h4-9,15H,10-11H2,1-3H3,(H,25,27,30)/t15-/m1/s1
InChIKeyYESKDJDYPAJBGP-OAHLLOKOSA-N
XLogP4.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
N-(4-chlorophenyl)-N'-{6-[4-(trifluoromethyl)piperidino]-3-pyridyl}urea
CID 2746266
2-[(5-chloro-2-oxo-1H-pyridin-3-yl)amino]-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 71061878
N-(5-chloropyridin-2-yl)-2-[4-[3-chloro-2-(trifluoromethyl)pyridin-4-yl]piperidin-1-yl]-2-oxoacetamide
CID 139295431
N-[1-(5-chloro-6-pyridin-2-yl-2-pyridinyl)piperidin-4-yl]-2-(dimethylamino)acetamide
CID 69047949
1-(4-chloropyridin-3-yl)-4-(methyl-amino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608487
4-(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 1470905
N-(3-Chloro-4-fluoro-phenyl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-pyridin-2-yl-succinamide
CID 3205082
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 155568411
(6-Amino-2-methyl-3-pyridinyl)methyl-[2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]ethyl]azanium
CID 72199316
1-[2-[(6-Amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one
CID 11398906
N-(5-chloropyridin-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 6470223

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide (CID 90321897) is 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide is CC(C)(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
The InChIKey is YESKDJDYPAJBGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClF3N5O2/c1-19(2,3)15-10-28(13-4-5-14(26-9-13)20(22,23)24)18(31)29(15)11-17(30)27-16-8-12(21)6-7-25-16/h4-9,15H,10-11H2,1-3H3,(H,25,27,30)/t15-/m1/s1.
What are the key properties of 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide?
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide has a molecular weight of 455.87 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 90321897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).