N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide

C20H19FN4O2 — CID 109284290

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccccc1Nc1cnc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C20H19FN4O2/c1-27-18-9-5-4-8-16(18)25-19-13-23-17(12-24-19)20(26)22-11-10-14-6-2-3-7-15(14)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyDFZUTKCIBBBSOS-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109284290) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109284290
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccccc1Nc1cnc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C20H19FN4O2/c1-27-18-9-5-4-8-16(18)25-19-13-23-17(12-24-19)20(26)22-11-10-14-6-2-3-7-15(14)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyDFZUTKCIBBBSOS-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109287152
5-(3,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284611
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide (CID 109284290) is N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide is COc1ccccc1Nc1cnc(C(=O)NCCc2ccccc2F)cn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is DFZUTKCIBBBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-18-9-5-4-8-16(18)25-19-13-23-17(12-24-19)20(26)22-11-10-14-6-2-3-7-15(14)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109284290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).