N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide

C20H19FN4O2 — CID 109284467

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)NCCc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C20H19FN4O2/c1-27-17-4-2-3-16(11-17)25-19-13-23-18(12-24-19)20(26)22-10-9-14-5-7-15(21)8-6-14/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyLHNKVFHJANVYFU-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109284467) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109284467
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)NCCc3ccc(F)cc3)cn2)c1
InChIInChI=1S/C20H19FN4O2/c1-27-17-4-2-3-16(11-17)25-19-13-23-18(12-24-19)20(26)22-10-9-14-5-7-15(21)8-6-14/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyLHNKVFHJANVYFU-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

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide (CID 109284467) is N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)NCCc3ccc(F)cc3)cn2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is LHNKVFHJANVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-17-4-2-3-16(11-17)25-19-13-23-18(12-24-19)20(26)22-10-9-14-5-7-15(21)8-6-14/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-(3-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-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109284467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).