N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide

C21H28N4O — CID 109288815

IUPACN-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(N2CCCC(C)C2)cn1
InChIInChI=1S/C21H28N4O/c1-4-16-9-6-10-17(5-2)20(16)24-21(26)18-12-23-19(13-22-18)25-11-7-8-15(3)14-25/h6,9-10,12-13,15H,4-5,7-8,11,14H2,1-3H3,(H,24,26)
InChIKeyPRTXUJROLCPDLL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.09
Rot. Bonds5

About N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide

N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide (PubChem CID 109288815) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
PubChem CID109288815
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(N2CCCC(C)C2)cn1
InChIInChI=1S/C21H28N4O/c1-4-16-9-6-10-17(5-2)20(16)24-21(26)18-12-23-19(13-22-18)25-11-7-8-15(3)14-25/h6,9-10,12-13,15H,4-5,7-8,11,14H2,1-3H3,(H,24,26)
InChIKeyPRTXUJROLCPDLL-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109288853
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288825
5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283250
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459
N-ethyl-N-(3-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288895
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
5-(cyclopropylamino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109271857
5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 107371744

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide (CID 109288815) is N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(N2CCCC(C)C2)cn1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is PRTXUJROLCPDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-16-9-6-10-17(5-2)20(16)24-21(26)18-12-23-19(13-22-18)25-11-7-8-15(3)14-25/h6,9-10,12-13,15H,4-5,7-8,11,14H2,1-3H3,(H,24,26).
What are the key properties of N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).