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

C21H24F3N3O5 — CID 24800781

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCOCCOc1ncc(C(=O)NC[C@](C)(O)C2CC2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O5/c1-20(29,14-5-6-14)12-26-18(28)16-11-25-19(31-10-9-30-2)17(27-16)13-3-7-15(8-4-13)32-21(22,23)24/h3-4,7-8,11,14,29H,5-6,9-10,12H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyRRQDAZARLBVOTA-FQEVSTJZSA-N
MW455.43 g/mol
LogP2.96
Rot. Bonds10

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

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 24800781) has the molecular formula C21H24F3N3O5 and a molecular weight of 455.43 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID24800781
Molecular FormulaC21H24F3N3O5
Molecular Weight455.43 g/mol
Exact Mass455.17
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCOCCOc1ncc(C(=O)NC[C@](C)(O)C2CC2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O5/c1-20(29,14-5-6-14)12-26-18(28)16-11-25-19(31-10-9-30-2)17(27-16)13-3-7-15(8-4-13)32-21(22,23)24/h3-4,7-8,11,14,29H,5-6,9-10,12H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyRRQDAZARLBVOTA-FQEVSTJZSA-N
XLogP2.96
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 10452732
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5-{2-Fluoro-4-[(3-methyl-butylamino)-methyl]-phenoxy}-pyrazine-2-carboxylic acid amide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 24800781) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is COCCOc1ncc(C(=O)NC[C@](C)(O)C2CC2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is RRQDAZARLBVOTA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24F3N3O5/c1-20(29,14-5-6-14)12-26-18(28)16-11-25-19(31-10-9-30-2)17(27-16)13-3-7-15(8-4-13)32-21(22,23)24/h3-4,7-8,11,14,29H,5-6,9-10,12H2,1-2H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 455.43 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24800781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).