N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide

C15H15BrN4O — CID 109272307

IUPACN-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C15H15BrN4O/c1-3-6-17-14-9-18-13(8-19-14)15(21)20-11-4-5-12(16)10(2)7-11/h3-5,7-9H,1,6H2,2H3,(H,17,19)(H,20,21)
InChIKeySFIPQTFAMKKNQE-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.40
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272307) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272307
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C15H15BrN4O/c1-3-6-17-14-9-18-13(8-19-14)15(21)20-11-4-5-12(16)10(2)7-11/h3-5,7-9H,1,6H2,2H3,(H,17,19)(H,20,21)
InChIKeySFIPQTFAMKKNQE-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

N-(4-bromo-3-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339579
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109272282
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272324

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272307) is N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)Nc2ccc(Br)c(C)c2)cn1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is SFIPQTFAMKKNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-3-6-17-14-9-18-13(8-19-14)15(21)20-11-4-5-12(16)10(2)7-11/h3-5,7-9H,1,6H2,2H3,(H,17,19)(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).