N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C20H19FN4O2 — CID 109281291

IUPACN-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C20H19FN4O2/c1-27-18-9-5-3-7-15(18)11-23-19-13-22-17(12-24-19)20(26)25-10-14-6-2-4-8-16(14)21/h2-9,12-13H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyIJRAAJMYWUHOQM-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.17
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281291) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281291
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C20H19FN4O2/c1-27-18-9-5-3-7-15(18)11-23-19-13-22-17(12-24-19)20(26)25-10-14-6-2-4-8-16(14)21/h2-9,12-13H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyIJRAAJMYWUHOQM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109281291) is N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccccc1CNc1cnc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is IJRAAJMYWUHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-18-9-5-3-7-15(18)11-23-19-13-22-17(12-24-19)20(26)25-10-14-6-2-4-8-16(14)21/h2-9,12-13H,10-11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).