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

C14H18N6O2 — CID 90974567

IUPAC3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
SMILESNCc1ncc(-c2noc(C3CCCCC3)n2)nc1C(N)=O
InChIInChI=1S/C14H18N6O2/c15-6-9-11(12(16)21)18-10(7-17-9)13-19-14(22-20-13)8-4-2-1-3-5-8/h7-8H,1-6,15H2,(H2,16,21)
InChIKeyBUYNCWJQSRLZTF-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.13
Rot. Bonds4

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

3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide (PubChem CID 90974567) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
PubChem CID90974567
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
SMILESNCc1ncc(-c2noc(C3CCCCC3)n2)nc1C(N)=O
InChIInChI=1S/C14H18N6O2/c15-6-9-11(12(16)21)18-10(7-17-9)13-19-14(22-20-13)8-4-2-1-3-5-8/h7-8H,1-6,15H2,(H2,16,21)
InChIKeyBUYNCWJQSRLZTF-UHFFFAOYSA-N
XLogP1.13
TPSA133.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 68653905
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
5-cyclohexyl-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 139002647
5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
CID 154799225
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate
CID 67840903
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide (CID 90974567) is 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide is NCc1ncc(-c2noc(C3CCCCC3)n2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is BUYNCWJQSRLZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c15-6-9-11(12(16)21)18-10(7-17-9)13-19-14(22-20-13)8-4-2-1-3-5-8/h7-8H,1-6,15H2,(H2,16,21).
What are the key properties of 3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide?
3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 1.13, 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-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 90974567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).