5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

C21H20N4O2 — CID 109280854

IUPAC5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NC(C)c3ccccc3)cn2)c1
InChIInChI=1S/C21H20N4O2/c1-14(16-7-4-3-5-8-16)24-21(27)19-12-23-20(13-22-19)25-18-10-6-9-17(11-18)15(2)26/h3-14H,1-2H3,(H,23,25)(H,24,27)
InChIKeySEQNFYKWPHOXKB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.91
Rot. Bonds6

About 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109280854) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID109280854
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NC(C)c3ccccc3)cn2)c1
InChIInChI=1S/C21H20N4O2/c1-14(16-7-4-3-5-8-16)24-21(27)19-12-23-20(13-22-19)25-18-10-6-9-17(11-18)15(2)26/h3-14H,1-2H3,(H,23,25)(H,24,27)
InChIKeySEQNFYKWPHOXKB-UHFFFAOYSA-N
XLogP3.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280867
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
methyl 3-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280992
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 109280854) is 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(=O)c1cccc(Nc2cnc(C(=O)NC(C)c3ccccc3)cn2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is SEQNFYKWPHOXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(16-7-4-3-5-8-16)24-21(27)19-12-23-20(13-22-19)25-18-10-6-9-17(11-18)15(2)26/h3-14H,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).