N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide

C16H25N3O — CID 18155873

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C16H25N3O/c1-4-16(2,3)12-5-7-13(8-6-12)19-15(20)14-11-17-9-10-18-14/h9-13H,4-8H2,1-3H3,(H,19,20)
InChIKeyYVIJOFWOEVQKHI-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.20
Rot. Bonds4

About N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide (PubChem CID 18155873) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
PubChem CID18155873
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C16H25N3O/c1-4-16(2,3)12-5-7-13(8-6-12)19-15(20)14-11-17-9-10-18-14/h9-13H,4-8H2,1-3H3,(H,19,20)
InChIKeyYVIJOFWOEVQKHI-UHFFFAOYSA-N
XLogP3.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 33295118
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546093

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide (CID 18155873) is N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is YVIJOFWOEVQKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-16(2,3)12-5-7-13(8-6-12)19-15(20)14-11-17-9-10-18-14/h9-13H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 18155873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).