N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

C19H17BrN4O — CID 109280199

IUPACN-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccccc1CNc1cnc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C19H17BrN4O/c1-13-5-2-3-6-14(13)10-22-18-12-21-17(11-23-18)19(25)24-16-8-4-7-15(20)9-16/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyHMOOTTUAIVTVCE-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds5

About N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280199) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280199
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccccc1CNc1cnc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C19H17BrN4O/c1-13-5-2-3-6-14(13)10-22-18-12-21-17(11-23-18)19(25)24-16-8-4-7-15(20)9-16/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyHMOOTTUAIVTVCE-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280201
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
N-(3-methylphenyl)-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346825
5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109281970
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
5-[(2-fluorophenyl)methylamino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109281495
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291389
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148
N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368581

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280199) is N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccccc1CNc1cnc(C(=O)Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is HMOOTTUAIVTVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-5-2-3-6-14(13)10-22-18-12-21-17(11-23-18)19(25)24-16-8-4-7-15(20)9-16/h2-9,11-12H,10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).