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

C13H19N3O — CID 130233496

IUPACN-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C13H19N3O/c1-13(2)5-3-10(4-6-13)16-12(17)11-9-14-7-8-15-11/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyPYTPODRDLYETJY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.18
Rot. Bonds2

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

N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide (PubChem CID 130233496) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
PubChem CID130233496
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C13H19N3O/c1-13(2)5-3-10(4-6-13)16-12(17)11-9-14-7-8-15-11/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyPYTPODRDLYETJY-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375834
6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 114035957
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyrazine-2-carboxamide
CID 77080599
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-(4-methyloxan-4-yl)pyrazine-2-carboxamide
CID 138992437

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide (CID 130233496) is N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide is CC1(C)CCC(NC(=O)c2cnccn2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
The InChIKey is PYTPODRDLYETJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)5-3-10(4-6-13)16-12(17)11-9-14-7-8-15-11/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide?
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 130233496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).