3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide

C13H16N6O2 — CID 68653905

IUPAC3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
SMILESNCc1ncc(-c2noc(C3CCCC3)n2)nc1C(N)=O
InChIInChI=1S/C13H16N6O2/c14-5-8-10(11(15)20)17-9(6-16-8)12-18-13(21-19-12)7-3-1-2-4-7/h6-7H,1-5,14H2,(H2,15,20)
InChIKeyZLCUDPPIKMLZTN-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.74
Rot. Bonds4

About 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide

3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide (PubChem CID 68653905) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
PubChem CID68653905
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
SMILESNCc1ncc(-c2noc(C3CCCC3)n2)nc1C(N)=O
InChIInChI=1S/C13H16N6O2/c14-5-8-10(11(15)20)17-9(6-16-8)12-18-13(21-19-12)7-3-1-2-4-7/h6-7H,1-5,14H2,(H2,15,20)
InChIKeyZLCUDPPIKMLZTN-UHFFFAOYSA-N
XLogP0.74
TPSA133.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 90974567
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
CID 154799225
5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 139002647
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
3-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxamide
CID 128599384
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
[(1S,2R)-2-aminocyclopentyl]-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124699474
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide (CID 68653905) is 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide is NCc1ncc(-c2noc(C3CCCC3)n2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is ZLCUDPPIKMLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-5-8-10(11(15)20)17-9(6-16-8)12-18-13(21-19-12)7-3-1-2-4-7/h6-7H,1-5,14H2,(H2,15,20).
What are the key properties of 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 68653905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).