5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide

C21H21ClN4O2 — CID 109291518

IUPAC5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C21H21ClN4O2/c1-4-14-7-5-6-8-16(14)26-21(27)18-11-24-20(12-23-18)25-17-9-13(2)15(22)10-19(17)28-3/h5-12H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyWULWHFNCQBVFDU-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.01
Rot. Bonds6

About 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide

5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109291518) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109291518
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C21H21ClN4O2/c1-4-14-7-5-6-8-16(14)26-21(27)18-11-24-20(12-23-18)25-17-9-13(2)15(22)10-19(17)28-3/h5-12H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyWULWHFNCQBVFDU-UHFFFAOYSA-N
XLogP5.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
5-(3,5-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291158
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide (CID 109291518) is 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2cc(C)c(Cl)cc2OC)cn1.
What is the InChIKey of 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is WULWHFNCQBVFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-4-14-7-5-6-8-16(14)26-21(27)18-11-24-20(12-23-18)25-17-9-13(2)15(22)10-19(17)28-3/h5-12H,4H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide?
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).