N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide

C20H19ClN4O3 — CID 109292936

IUPACN-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)Nc3cccc(Cl)c3C)cn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-12-14(21)5-4-6-15(12)25-20(26)17-10-23-19(11-22-17)24-16-9-13(27-2)7-8-18(16)28-3/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyBCFDNNPYIXAGIQ-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide

N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109292936) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
PubChem CID109292936
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(Nc2cnc(C(=O)Nc3cccc(Cl)c3C)cn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-12-14(21)5-4-6-15(12)25-20(26)17-10-23-19(11-22-17)24-16-9-13(27-2)7-8-18(16)28-3/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyBCFDNNPYIXAGIQ-UHFFFAOYSA-N
XLogP4.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291396
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572
5-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293907
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282542
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide (CID 109292936) is N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide is COc1ccc(OC)c(Nc2cnc(C(=O)Nc3cccc(Cl)c3C)cn2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is BCFDNNPYIXAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-14(21)5-4-6-15(12)25-20(26)17-10-23-19(11-22-17)24-16-9-13(27-2)7-8-18(16)28-3/h4-11H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).