N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide

C21H21FN4O — CID 109284532

IUPACN-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)c1C
InChIInChI=1S/C21H21FN4O/c1-14-4-3-5-18(15(14)2)26-21(27)19-12-25-20(13-24-19)23-11-10-16-6-8-17(22)9-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyLLYAEWGQNKFFEO-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.14
Rot. Bonds6

About N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide

N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109284532) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109284532
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)c1C
InChIInChI=1S/C21H21FN4O/c1-14-4-3-5-18(15(14)2)26-21(27)19-12-25-20(13-24-19)23-11-10-16-6-8-17(22)9-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyLLYAEWGQNKFFEO-UHFFFAOYSA-N
XLogP4.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284540
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
N-(2,4-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284577
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109284532) is N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is LLYAEWGQNKFFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-4-3-5-18(15(14)2)26-21(27)19-12-25-20(13-24-19)23-11-10-16-6-8-17(22)9-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109284532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).