N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide

C19H16ClN5O2 — CID 109292791

IUPACN-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)23-14-5-7-15(8-6-14)25-19(27)17-10-22-18(11-21-17)24-16-4-2-3-13(20)9-16/h2-11H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyOUTAPMNRSNTEHT-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.08
Rot. Bonds5

About N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide

N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide (PubChem CID 109292791) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
PubChem CID109292791
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)23-14-5-7-15(8-6-14)25-19(27)17-10-22-18(11-21-17)24-16-4-2-3-13(20)9-16/h2-11H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyOUTAPMNRSNTEHT-UHFFFAOYSA-N
XLogP4.08
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide (CID 109292791) is N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(Nc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide?
The InChIKey is OUTAPMNRSNTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-12(26)23-14-5-7-15(8-6-14)25-19(27)17-10-22-18(11-21-17)24-16-4-2-3-13(20)9-16/h2-11H,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).