5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C18H18N4O2 — CID 109279368

IUPAC5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)c(C)c1
InChIInChI=1S/C18H18N4O2/c1-12-5-6-15(13(2)8-12)22-17-11-19-16(10-20-17)18(23)21-9-14-4-3-7-24-14/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGIXKZNXICRZNKC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.36
Rot. Bonds5

About 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109279368) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109279368
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)c(C)c1
InChIInChI=1S/C18H18N4O2/c1-12-5-6-15(13(2)8-12)22-17-11-19-16(10-20-17)18(23)21-9-14-4-3-7-24-14/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGIXKZNXICRZNKC-UHFFFAOYSA-N
XLogP3.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279436
5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384
N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109279444
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 109279368) is 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is GIXKZNXICRZNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-6-15(13(2)8-12)22-17-11-19-16(10-20-17)18(23)21-9-14-4-3-7-24-14/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).