N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide

C20H19FN4O — CID 109281723

IUPACN-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NCc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-13-24-19(14-22-18)23-12-15-8-10-16(21)11-9-15/h3-11,13-14H,2,12H2,1H3,(H,23,24)
InChIKeyJZSGRNYUITZOEF-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.89
Rot. Bonds6

About N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide

N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide (PubChem CID 109281723) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
PubChem CID109281723
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NCc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-13-24-19(14-22-18)23-12-15-8-10-16(21)11-9-15/h3-11,13-14H,2,12H2,1H3,(H,23,24)
InChIKeyJZSGRNYUITZOEF-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280656
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide (CID 109281723) is N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(NCc2ccc(F)cc2)cn1)c1ccccc1.
What is the InChIKey of N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide?
The InChIKey is JZSGRNYUITZOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-13-24-19(14-22-18)23-12-15-8-10-16(21)11-9-15/h3-11,13-14H,2,12H2,1H3,(H,23,24).
What are the key properties of N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide?
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109281723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).