5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide

C18H15ClN4O2 — CID 109289456

IUPAC5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-8-7-12(19)9-14(16)23-17-11-20-15(10-21-17)18(24)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyGIMHUJQGWQUBTQ-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide

5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide (PubChem CID 109289456) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
PubChem CID109289456
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-8-7-12(19)9-14(16)23-17-11-20-15(10-21-17)18(24)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyGIMHUJQGWQUBTQ-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide (CID 109289456) is 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide is COc1ccc(Cl)cc1Nc1cnc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is GIMHUJQGWQUBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-8-7-12(19)9-14(16)23-17-11-20-15(10-21-17)18(24)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109289456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).