5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide

C19H15ClN4O2 — CID 109292842

IUPAC5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H15ClN4O2/c1-12(25)13-3-2-4-16(9-13)23-18-11-21-17(10-22-18)19(26)24-15-7-5-14(20)6-8-15/h2-11H,1H3,(H,22,23)(H,24,26)
InChIKeyDDIVGNCQZSCKPR-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.33
Rot. Bonds5

About 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide

5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 109292842) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
PubChem CID109292842
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H15ClN4O2/c1-12(25)13-3-2-4-16(9-13)23-18-11-21-17(10-22-18)19(26)24-15-7-5-14(20)6-8-15/h2-11H,1H3,(H,22,23)(H,24,26)
InChIKeyDDIVGNCQZSCKPR-UHFFFAOYSA-N
XLogP4.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109282153
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide (CID 109292842) is 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide is CC(=O)c1cccc(Nc2cnc(C(=O)Nc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is DDIVGNCQZSCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12(25)13-3-2-4-16(9-13)23-18-11-21-17(10-22-18)19(26)24-15-7-5-14(20)6-8-15/h2-11H,1H3,(H,22,23)(H,24,26).
What are the key properties of 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).