N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide

C20H15N5O2 — CID 109294044

IUPACN-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Nc3ccc(C#N)cc3)cn2)c1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-3-2-4-17(9-15)25-20(27)18-11-23-19(12-22-18)24-16-7-5-14(10-21)6-8-16/h2-9,11-12H,1H3,(H,23,24)(H,25,27)
InChIKeySYVBIVVSJLBURV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.55
Rot. Bonds5

About N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide

N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide (PubChem CID 109294044) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
PubChem CID109294044
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Nc3ccc(C#N)cc3)cn2)c1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-3-2-4-17(9-15)25-20(27)18-11-23-19(12-22-18)24-16-7-5-14(10-21)6-8-16/h2-9,11-12H,1H3,(H,23,24)(H,25,27)
InChIKeySYVBIVVSJLBURV-UHFFFAOYSA-N
XLogP3.55
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109270091
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109293781

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide (CID 109294044) is N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(Nc3ccc(C#N)cc3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
The InChIKey is SYVBIVVSJLBURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-13(26)15-3-2-4-17(9-15)25-20(27)18-11-23-19(12-22-18)24-16-7-5-14(10-21)6-8-16/h2-9,11-12H,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide?
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).