5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide

C16H19BrN4O — CID 109287309

IUPAC5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)NC(C)(C)C)cn2)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-10-7-11(5-6-12(10)17)20-14-9-18-13(8-19-14)15(22)21-16(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)
InChIKeyRILMUMNUUWIWNN-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.82
Rot. Bonds3

About 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide

5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide (PubChem CID 109287309) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
PubChem CID109287309
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)NC(C)(C)C)cn2)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-10-7-11(5-6-12(10)17)20-14-9-18-13(8-19-14)15(22)21-16(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)
InChIKeyRILMUMNUUWIWNN-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109287332
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290833

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide (CID 109287309) is 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide is Cc1cc(Nc2cnc(C(=O)NC(C)(C)C)cn2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide?
The InChIKey is RILMUMNUUWIWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10-7-11(5-6-12(10)17)20-14-9-18-13(8-19-14)15(22)21-16(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide?
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide is sourced from PubChem (CID 109287309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).