5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide

C19H19F3N4O2 — CID 78098544

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)16(13-3-1-2-8-23-13)26-17(27)14-9-24-15(12-6-7-12)18(25-14)28-10-11-4-5-11/h1-3,8-9,11-12,16H,4-7,10H2,(H,26,27)
InChIKeyRNKBSPUJCIZTHG-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.57
Rot. Bonds7

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 78098544) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID78098544
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)16(13-3-1-2-8-23-13)26-17(27)14-9-24-15(12-6-7-12)18(25-14)28-10-11-4-5-11/h1-3,8-9,11-12,16H,4-7,10H2,(H,26,27)
InChIKeyRNKBSPUJCIZTHG-UHFFFAOYSA-N
XLogP3.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-carbamoyl-phenyl-methyl)-amide
CID 71525576
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide
CID 71525850
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-1-pyridin-2-yl-ethyl)-amide
CID 71525945
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 71525946
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
CID 71526033
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-2-yl-ethyl)-amide
CID 71526034
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid [(S)-carbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 71526222
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid (1,1-dimethyl-3-pyridin-4-yl-propyl)-amide
CID 71526313
5-Cyclopropyl-6-cyclopropylmethoxy-pyrazine-2-carboxylic acid (1,1-dimethyl-3-pyridin-4-yl-butyl)-amide
CID 71526315
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 78098544) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is RNKBSPUJCIZTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)16(13-3-1-2-8-23-13)26-17(27)14-9-24-15(12-6-7-12)18(25-14)28-10-11-4-5-11/h1-3,8-9,11-12,16H,4-7,10H2,(H,26,27).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 78098544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).