5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

C20H19ClN4O3 — CID 109289716

IUPAC5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-12-6-4-5-7-14(12)25-20(26)16-10-23-19(11-22-16)24-15-9-17(27-2)13(21)8-18(15)28-3/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyIWXOBYNMEKIEQA-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289716) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289716
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-12-6-4-5-7-14(12)25-20(26)16-10-23-19(11-22-16)24-15-9-17(27-2)13(21)8-18(15)28-3/h4-11H,1-3H3,(H,23,24)(H,25,26)
InChIKeyIWXOBYNMEKIEQA-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-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291396
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291518
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109289716) is 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is COc1cc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)c(OC)cc1Cl.
What is the InChIKey of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is IWXOBYNMEKIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-6-4-5-7-14(12)25-20(26)16-10-23-19(11-22-16)24-15-9-17(27-2)13(21)8-18(15)28-3/h4-11H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)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 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).