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

C21H20FN5O2 — CID 109284480

IUPAC5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cnc(C(=O)NCCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H20FN5O2/c1-14(28)26-17-6-8-18(9-7-17)27-20-13-24-19(12-25-20)21(29)23-11-10-15-2-4-16(22)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,29)(H,25,27)(H,26,28)
InChIKeyZHHZVRSLHZNVPL-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.29
Rot. Bonds7

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

5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284480) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284480
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cnc(C(=O)NCCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H20FN5O2/c1-14(28)26-17-6-8-18(9-7-17)27-20-13-24-19(12-25-20)21(29)23-11-10-15-2-4-16(22)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,29)(H,25,27)(H,26,28)
InChIKeyZHHZVRSLHZNVPL-UHFFFAOYSA-N
XLogP3.29
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284281
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-(4-acetylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284566
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281641

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide (CID 109284480) is 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide is CC(=O)Nc1ccc(Nc2cnc(C(=O)NCCc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ZHHZVRSLHZNVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-14(28)26-17-6-8-18(9-7-17)27-20-13-24-19(12-25-20)21(29)23-11-10-15-2-4-16(22)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,23,29)(H,25,27)(H,26,28).
What are the key properties of 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide?
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).