5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide

C20H19ClN4O3 — CID 109293037

IUPAC5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3C)cn2)cc1OC
InChIInChI=1S/C20H19ClN4O3/c1-12-4-5-13(21)8-15(12)25-19-11-22-16(10-23-19)20(26)24-14-6-7-17(27-2)18(9-14)28-3/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyQMKPEUQPGGOCTL-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide

5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293037) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109293037
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3C)cn2)cc1OC
InChIInChI=1S/C20H19ClN4O3/c1-12-4-5-13(21)8-15(12)25-19-11-22-16(10-23-19)20(26)24-14-6-7-17(27-2)18(9-14)28-3/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyQMKPEUQPGGOCTL-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

N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
5-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293034
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291003
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide (CID 109293037) is 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3C)cn2)cc1OC.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is QMKPEUQPGGOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-4-5-13(21)8-15(12)25-19-11-22-16(10-23-19)20(26)24-14-6-7-17(27-2)18(9-14)28-3/h4-11H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)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-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).