5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide

C16H18ClN3O — CID 24881801

IUPAC5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(C)(C)C)c(Cl)n2)cc1
InChIInChI=1S/C16H18ClN3O/c1-10-5-7-11(8-6-10)19-15(21)12-9-18-13(14(17)20-12)16(2,3)4/h5-9H,1-4H3,(H,19,21)
InChIKeyXHEOBPLQFLPUDK-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.99
Rot. Bonds2

About 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide

5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 24881801) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID24881801
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(C)(C)C)c(Cl)n2)cc1
InChIInChI=1S/C16H18ClN3O/c1-10-5-7-11(8-6-10)19-15(21)12-9-18-13(14(17)20-12)16(2,3)4/h5-9H,1-4H3,(H,19,21)
InChIKeyXHEOBPLQFLPUDK-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109353739
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 24881801) is 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(C(C)(C)C)c(Cl)n2)cc1.
What is the InChIKey of 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is XHEOBPLQFLPUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-5-7-11(8-6-10)19-15(21)12-9-18-13(14(17)20-12)16(2,3)4/h5-9H,1-4H3,(H,19,21).
What are the key properties of 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-chloro-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 24881801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).