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

C21H21FN4O — CID 109284529

IUPACN-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)cc1C
InChIInChI=1S/C21H21FN4O/c1-14-3-8-18(11-15(14)2)26-21(27)19-12-25-20(13-24-19)23-10-9-16-4-6-17(22)7-5-16/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyOFVBFQHBCLPGPX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.14
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109284529) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109284529
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)cc1C
InChIInChI=1S/C21H21FN4O/c1-14-3-8-18(11-15(14)2)26-21(27)19-12-25-20(13-24-19)23-10-9-16-4-6-17(22)7-5-16/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyOFVBFQHBCLPGPX-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-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(4-acetylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284566
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532
N-(2,4-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284577
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308404
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284540

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109284529) is N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)cn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is OFVBFQHBCLPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-3-8-18(11-15(14)2)26-21(27)19-12-25-20(13-24-19)23-10-9-16-4-6-17(22)7-5-16/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide?
N-(3,4-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-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109284529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).