5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide

C15H15BrN4O — CID 109272110

IUPAC5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C15H15BrN4O/c1-3-6-17-15(21)13-8-19-14(9-18-13)20-12-5-4-11(16)7-10(12)2/h3-5,7-9H,1,6H2,2H3,(H,17,21)(H,19,20)
InChIKeyVOXMJIOWCSRQNM-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.21
Rot. Bonds5

About 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide

5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109272110) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109272110
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C15H15BrN4O/c1-3-6-17-15(21)13-8-19-14(9-18-13)20-12-5-4-11(16)7-10(12)2/h3-5,7-9H,1,6H2,2H3,(H,17,21)(H,19,20)
InChIKeyVOXMJIOWCSRQNM-UHFFFAOYSA-N
XLogP3.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279436
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085
6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344379

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide (CID 109272110) is 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(Nc2ccc(Br)cc2C)cn1.
What is the InChIKey of 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is VOXMJIOWCSRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-3-6-17-15(21)13-8-19-14(9-18-13)20-12-5-4-11(16)7-10(12)2/h3-5,7-9H,1,6H2,2H3,(H,17,21)(H,19,20).
What are the key properties of 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109272110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).