5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide

C13H20N4O — CID 113381877

IUPAC5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cnc(N)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-9-3-5-10(6-4-9)17-13(18)11-7-16-12(14)8-15-11/h7-10H,2-6H2,1H3,(H2,14,16)(H,17,18)
InChIKeyOXKIFUAARFOAAP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide

5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide (PubChem CID 113381877) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
PubChem CID113381877
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cnc(N)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-9-3-5-10(6-4-9)17-13(18)11-7-16-12(14)8-15-11/h7-10H,2-6H2,1H3,(H2,14,16)(H,17,18)
InChIKeyOXKIFUAARFOAAP-UHFFFAOYSA-N
XLogP1.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-cyclooctylpyrazine-2-carboxamide
CID 113381836
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
5-hydrazinyl-N-(4-propylcyclohexyl)pyrazine-2-carboxamide
CID 107377854
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005388
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
CID 107257826
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
CID 63498977
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide (CID 113381877) is 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide is CCC1CCC(NC(=O)c2cnc(N)cn2)CC1.
What is the InChIKey of 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide?
The InChIKey is OXKIFUAARFOAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-9-3-5-10(6-4-9)17-13(18)11-7-16-12(14)8-15-11/h7-10H,2-6H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide?
5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 113381877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).