N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide

C14H22N4O — CID 107375834

IUPACN-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C14H22N4O/c1-14(2)6-4-10(5-7-14)18-13(19)11-8-17-12(15-3)9-16-11/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyXDXWERWJSLDNLD-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.22
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide

N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107375834) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107375834
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C14H22N4O/c1-14(2)6-4-10(5-7-14)18-13(19)11-8-17-12(15-3)9-16-11/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyXDXWERWJSLDNLD-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
CID 114124411
5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide
CID 107375956
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 114035957
N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887
5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271696
N-(2,2-dicyclopropylethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375993
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107375834) is N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)NC2CCC(C)(C)CC2)cn1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is XDXWERWJSLDNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2)6-4-10(5-7-14)18-13(19)11-8-17-12(15-3)9-16-11/h8-10H,4-7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).