5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide

C21H21ClN4O2 — CID 109293352

IUPAC5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1)c1cccc(C)c1
InChIInChI=1S/C21H21ClN4O2/c1-4-26(16-7-5-6-14(2)10-16)21(27)18-12-24-20(13-23-18)25-17-11-15(22)8-9-19(17)28-3/h5-13H,4H2,1-3H3,(H,24,25)
InChIKeyVXXJVWRQQGYUHD-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.86
Rot. Bonds6

About 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide

5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109293352) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109293352
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1)c1cccc(C)c1
InChIInChI=1S/C21H21ClN4O2/c1-4-26(16-7-5-6-14(2)10-16)21(27)18-12-24-20(13-23-18)25-17-11-15(22)8-9-19(17)28-3/h5-13H,4H2,1-3H3,(H,24,25)
InChIKeyVXXJVWRQQGYUHD-UHFFFAOYSA-N
XLogP4.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109287454
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291719
5-(5-chloro-2-methoxyanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293339
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109293352) is 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide is CCN(C(=O)c1cnc(Nc2cc(Cl)ccc2OC)cn1)c1cccc(C)c1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is VXXJVWRQQGYUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-4-26(16-7-5-6-14(2)10-16)21(27)18-12-24-20(13-23-18)25-17-11-15(22)8-9-19(17)28-3/h5-13H,4H2,1-3H3,(H,24,25).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).