N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide

C18H16BrN5O — CID 109283148

IUPACN-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCc3ccccn3)cn2)cc1Br
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-13(8-15(12)19)24-18(25)16-10-23-17(11-21-16)22-9-14-4-2-3-7-20-14/h2-8,10-11H,9H2,1H3,(H,22,23)(H,24,25)
InChIKeyKQLLFPLCFPQRFS-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.81
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide

N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283148) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283148
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCc3ccccn3)cn2)cc1Br
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-13(8-15(12)19)24-18(25)16-10-23-17(11-21-16)22-9-14-4-2-3-7-20-14/h2-8,10-11H,9H2,1H3,(H,22,23)(H,24,25)
InChIKeyKQLLFPLCFPQRFS-UHFFFAOYSA-N
XLogP3.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
N-(4-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283138
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
methyl 4-[[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109283169
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
N-(4-bromo-3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306996
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide (CID 109283148) is N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(NCc3ccccn3)cn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is KQLLFPLCFPQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-5-6-13(8-15(12)19)24-18(25)16-10-23-17(11-21-16)22-9-14-4-2-3-7-20-14/h2-8,10-11H,9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).