N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide

C12H16N6O2 — CID 106408660

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCCc2ncno2)n1
InChIInChI=1S/C12H16N6O2/c1-2-4-14-10-7-13-6-9(18-10)12(19)15-5-3-11-16-8-17-20-11/h6-8H,2-5H2,1H3,(H,14,18)(H,15,19)
InChIKeyCFDSXICHMJKQCW-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.65
Rot. Bonds7

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide (PubChem CID 106408660) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
PubChem CID106408660
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCCc2ncno2)n1
InChIInChI=1S/C12H16N6O2/c1-2-4-14-10-7-13-6-9(18-10)12(19)15-5-3-11-16-8-17-20-11/h6-8H,2-5H2,1H3,(H,14,18)(H,15,19)
InChIKeyCFDSXICHMJKQCW-UHFFFAOYSA-N
XLogP0.65
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 106408662
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106377129
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103744039
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 106408604
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103744013

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide (CID 106408660) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide is CCCNc1cncc(C(=O)NCCc2ncno2)n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide?
The InChIKey is CFDSXICHMJKQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-2-4-14-10-7-13-6-9(18-10)12(19)15-5-3-11-16-8-17-20-11/h6-8H,2-5H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 106408660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).