N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane

C16H21F2N5O — CID 166481244

IUPACN-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane
SMILESCn1cncc1-c1cncc(C(=O)NC2CCCCC2)n1.FCF
InChIInChI=1S/C15H19N5O.CH2F2/c1-20-10-17-9-14(20)12-7-16-8-13(19-12)15(21)18-11-5-3-2-4-6-11;2-1-3/h7-11H,2-6H2,1H3,(H,18,21);1H2
InChIKeyYYTSGMJBJGWDAX-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.82
Rot. Bonds3

About N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane

N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane (PubChem CID 166481244) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane.

Molecular Properties

Compound NameN-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane
PubChem CID166481244
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC NameN-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane
SMILESCn1cncc1-c1cncc(C(=O)NC2CCCCC2)n1.FCF
InChIInChI=1S/C15H19N5O.CH2F2/c1-20-10-17-9-14(20)12-7-16-8-13(19-12)15(21)18-11-5-3-2-4-6-11;2-1-3/h7-11H,2-6H2,1H3,(H,18,21);1H2
InChIKeyYYTSGMJBJGWDAX-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide
CID 166481092
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-cyclohexyl-6-(4,4-difluoro-1-hydroxycyclohexyl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;methanol
CID 166480907
N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
CID 166481201
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
CID 166481588
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 71172156

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane?
The IUPAC name of N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane (CID 166481244) is N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane.
What is the SMILES notation for N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane?
The canonical SMILES for N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane is Cn1cncc1-c1cncc(C(=O)NC2CCCCC2)n1.FCF.
What is the InChIKey of N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane?
The InChIKey is YYTSGMJBJGWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.CH2F2/c1-20-10-17-9-14(20)12-7-16-8-13(19-12)15(21)18-11-5-3-2-4-6-11;2-1-3/h7-11H,2-6H2,1H3,(H,18,21);1H2.
What are the key properties of N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane?
N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane has a molecular weight of 337.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane is sourced from PubChem (CID 166481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).