5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide

C20H19FN4O — CID 109281675

IUPAC5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)12-24-19-14-23-18(13-25-19)20(26)22-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2,(H,22,26)(H,24,25)
InChIKeyBVBUAJHGWMMPAX-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.20
Rot. Bonds7

About 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide

5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109281675) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID109281675
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)12-24-19-14-23-18(13-25-19)20(26)22-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2,(H,22,26)(H,24,25)
InChIKeyBVBUAJHGWMMPAX-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281677
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 109281675) is 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide is O=C(NCCc1ccccc1)c1cnc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is BVBUAJHGWMMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)12-24-19-14-23-18(13-25-19)20(26)22-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2,(H,22,26)(H,24,25).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide?
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109281675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).