N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

C17H22N6O3 — CID 71526128

IUPACN-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1
InChIInChI=1S/C17H22N6O3/c1-17(2,15-21-16(18)26-23-15)22-13(24)11-7-19-12(10-5-6-10)14(20-11)25-8-9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,22,24)(H2,18,21,23)
InChIKeyCQDLOEGSPUGLEN-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 71526128) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID71526128
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1
InChIInChI=1S/C17H22N6O3/c1-17(2,15-21-16(18)26-23-15)22-13(24)11-7-19-12(10-5-6-10)14(20-11)25-8-9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,22,24)(H2,18,21,23)
InChIKeyCQDLOEGSPUGLEN-UHFFFAOYSA-N
XLogP1.77
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 71526128) is N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is CC(C)(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1.
What is the InChIKey of N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is CQDLOEGSPUGLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-17(2,15-21-16(18)26-23-15)22-13(24)11-7-19-12(10-5-6-10)14(20-11)25-8-9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,22,24)(H2,18,21,23).
What are the key properties of N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 71526128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).