N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C21H24F3N3O4 — CID 24800779

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCOCCOc1ncc(C(=O)NCC(C)(O)C2CC2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4/c1-20(29,14-7-8-14)12-26-18(28)16-11-25-19(31-10-9-30-2)17(27-16)13-3-5-15(6-4-13)21(22,23)24/h3-6,11,14,29H,7-10,12H2,1-2H3,(H,26,28)
InChIKeyMIFSDIODFOPNJW-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.08
Rot. Bonds9

About N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24800779) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24800779
Molecular FormulaC21H24F3N3O4
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCOCCOc1ncc(C(=O)NCC(C)(O)C2CC2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4/c1-20(29,14-7-8-14)12-26-18(28)16-11-25-19(31-10-9-30-2)17(27-16)13-3-5-15(6-4-13)21(22,23)24/h3-6,11,14,29H,7-10,12H2,1-2H3,(H,26,28)
InChIKeyMIFSDIODFOPNJW-UHFFFAOYSA-N
XLogP3.08
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 76328423
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
6-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethoxy)-pyrazine-2-carboxylic acid ((R)-2-cyclopropyl-2-hydroxy-propyl)-amide
CID 24800611
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800778
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 24800780
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800781
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide
CID 24800783
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide
CID 24800953
methyl (2R)-2-[[6-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 24829638
methyl (2R)-2-[[6-(3-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 24829803
Methyl 2-[[5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]-2-methylpropanoate
CID 24829805

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24800779) is N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is COCCOc1ncc(C(=O)NCC(C)(O)C2CC2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is MIFSDIODFOPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4/c1-20(29,14-7-8-14)12-26-18(28)16-11-25-19(31-10-9-30-2)17(27-16)13-3-5-15(6-4-13)21(22,23)24/h3-6,11,14,29H,7-10,12H2,1-2H3,(H,26,28).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-5-(2-methoxyethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24800779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).