5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide

C13H20N4O — CID 113381864

IUPAC5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cnc(N)cn1
InChIInChI=1S/C13H20N4O/c1-17(9-10-5-3-2-4-6-10)13(18)11-7-16-12(14)8-15-11/h7-8,10H,2-6,9H2,1H3,(H2,14,16)
InChIKeyWCCAZQILNSLBPB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds3

About 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide

5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide (PubChem CID 113381864) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
PubChem CID113381864
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cnc(N)cn1
InChIInChI=1S/C13H20N4O/c1-17(9-10-5-3-2-4-6-10)13(18)11-7-16-12(14)8-15-11/h7-8,10H,2-6,9H2,1H3,(H2,14,16)
InChIKeyWCCAZQILNSLBPB-UHFFFAOYSA-N
XLogP1.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-5-hydrazinyl-N-methylpyrazine-2-carboxamide
CID 107378190
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide
CID 115117058
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
N-(cyclohexylmethyl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55047491
4-amino-N-(cyclohexylmethyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55090465
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
5-amino-N-cyclooctylpyrazine-2-carboxamide
CID 113381836
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
2-amino-5-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxamide
CID 114194912

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide (CID 113381864) is 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide is CN(CC1CCCCC1)C(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is WCCAZQILNSLBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(9-10-5-3-2-4-6-10)13(18)11-7-16-12(14)8-15-11/h7-8,10H,2-6,9H2,1H3,(H2,14,16).
What are the key properties of 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide?
5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 113381864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).