5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide

C16H19N3O — CID 24881805

IUPAC5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(C)(C)C)cn2)cc1
InChIInChI=1S/C16H19N3O/c1-11-5-7-12(8-6-11)19-15(20)13-9-18-14(10-17-13)16(2,3)4/h5-10H,1-4H3,(H,19,20)
InChIKeyLDNMSSQGDLSKBQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.33
Rot. Bonds2

About 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide

5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 24881805) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID24881805
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(C)(C)C)cn2)cc1
InChIInChI=1S/C16H19N3O/c1-11-5-7-12(8-6-11)19-15(20)13-9-18-14(10-17-13)16(2,3)4/h5-10H,1-4H3,(H,19,20)
InChIKeyLDNMSSQGDLSKBQ-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881801
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 24881805) is 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(C(C)(C)C)cn2)cc1.
What is the InChIKey of 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is LDNMSSQGDLSKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-5-7-12(8-6-11)19-15(20)13-9-18-14(10-17-13)16(2,3)4/h5-10H,1-4H3,(H,19,20).
What are the key properties of 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 24881805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).