N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide

C15H17N3O3 — CID 1448552

IUPACN-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc(C)cn2)cc(OC)c1
InChIInChI=1S/C15H17N3O3/c1-10-7-17-14(9-16-10)15(19)18-8-11-4-12(20-2)6-13(5-11)21-3/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyGBNJHIRUKZHUEO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.73
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 1448552) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID1448552
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc(C)cn2)cc(OC)c1
InChIInChI=1S/C15H17N3O3/c1-10-7-17-14(9-16-10)15(19)18-8-11-4-12(20-2)6-13(5-11)21-3/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyGBNJHIRUKZHUEO-UHFFFAOYSA-N
XLogP1.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide (CID 1448552) is N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide is COc1cc(CNC(=O)c2cnc(C)cn2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is GBNJHIRUKZHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-17-14(9-16-10)15(19)18-8-11-4-12(20-2)6-13(5-11)21-3/h4-7,9H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1448552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).