N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide

C14H15N3O3 — CID 7751149

IUPACN-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C14H15N3O3/c1-9-6-12(19-2)13(20-3)7-10(9)17-14(18)11-8-15-4-5-16-11/h4-8H,1-3H3,(H,17,18)
InChIKeyZIQZKRIYJRFSLA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.05
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 7751149) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide
PubChem CID7751149
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C14H15N3O3/c1-9-6-12(19-2)13(20-3)7-10(9)17-14(18)11-8-15-4-5-16-11/h4-8H,1-3H3,(H,17,18)
InChIKeyZIQZKRIYJRFSLA-UHFFFAOYSA-N
XLogP2.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide (CID 7751149) is N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide is COc1cc(C)c(NC(=O)c2cnccn2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZIQZKRIYJRFSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-6-12(19-2)13(20-3)7-10(9)17-14(18)11-8-15-4-5-16-11/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 7751149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).