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

C19H19F3N4O2 — CID 71526034

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](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)/t16-/m0/s1
InChIKeyRNKBSPUJCIZTHG-INIZCTEOSA-N
MW392.38 g/mol
LogP3.57
Rot. Bonds7

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

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 71526034) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
PubChem CID71526034
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](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)/t16-/m0/s1
InChIKeyRNKBSPUJCIZTHG-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide (CID 71526034) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide is O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is RNKBSPUJCIZTHG-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-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-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).