N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide

C21H23ClF3N5O2 — CID 90321953

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)C[C@@H]2CC(C)C)cnc1Cl
InChIInChI=1S/C21H23ClF3N5O2/c1-12(2)6-16-10-29(15-4-5-17(26-9-15)21(23,24)25)20(32)30(16)11-18(31)28-14-7-13(3)19(22)27-8-14/h4-5,7-9,12,16H,6,10-11H2,1-3H3,(H,28,31)/t16-/m0/s1
InChIKeyBGQAKPJZMAZKOX-INIZCTEOSA-N
MW469.90 g/mol
LogP4.75
Rot. Bonds6

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

N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide (PubChem CID 90321953) has the molecular formula C21H23ClF3N5O2 and a molecular weight of 469.90 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
PubChem CID90321953
Molecular FormulaC21H23ClF3N5O2
Molecular Weight469.90 g/mol
Exact Mass469.15
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)C[C@@H]2CC(C)C)cnc1Cl
InChIInChI=1S/C21H23ClF3N5O2/c1-12(2)6-16-10-29(15-4-5-17(26-9-15)21(23,24)25)20(32)30(16)11-18(31)28-14-7-13(3)19(22)27-8-14/h4-5,7-9,12,16H,6,10-11H2,1-3H3,(H,28,31)/t16-/m0/s1
InChIKeyBGQAKPJZMAZKOX-INIZCTEOSA-N
XLogP4.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CID 145925651
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52949177
2-{3-[(3-Chlorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-[(pyridin-2-YL)methyl]acetamide
CID 9550786
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52943071
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52946486
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]urea
CID 155529020
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide
CID 25096470
N-{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}-3-methyl-2-oxo-1-(3-pyridinyl)-4-imidazolidinecarboxamide
CID 25097733
1-(2-Chloro-6-(trifluoromethyl)pyridin-4-yl)-3-(4-cyclopropylpyridin-3-yl)imidazolidin-2-one
CID 66576972
N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 68751480
1-[(5-Chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
CID 76821366

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide (CID 90321953) is N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide is Cc1cc(NC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)C[C@@H]2CC(C)C)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
The InChIKey is BGQAKPJZMAZKOX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23ClF3N5O2/c1-12(2)6-16-10-29(15-4-5-17(26-9-15)21(23,24)25)20(32)30(16)11-18(31)28-14-7-13(3)19(22)27-8-14/h4-5,7-9,12,16H,6,10-11H2,1-3H3,(H,28,31)/t16-/m0/s1.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide has a molecular weight of 469.90 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 90321953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).