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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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).