5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C18H18N4O2 — CID 109279370

IUPAC5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-5-6-14(8-13(12)2)22-17-11-19-16(10-20-17)18(23)21-9-15-4-3-7-24-15/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWDCDTOVEMUYCFG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.36
Rot. Bonds5

About 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109279370) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109279370
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-5-6-14(8-13(12)2)22-17-11-19-16(10-20-17)18(23)21-9-15-4-3-7-24-15/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWDCDTOVEMUYCFG-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-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
5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279368
5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279436
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
CID 5074064
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 109279370) is 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is WDCDTOVEMUYCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-6-14(8-13(12)2)22-17-11-19-16(10-20-17)18(23)21-9-15-4-3-7-24-15/h3-8,10-11H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
5-(3,4-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-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).