N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide

C17H21N3O4 — CID 4803554

IUPACN,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc(C)cn2)c(OC)c1OC
InChIInChI=1S/C17H21N3O4/c1-11-8-19-13(9-18-11)17(21)20(2)10-12-6-7-14(22-3)16(24-5)15(12)23-4/h6-9H,10H2,1-5H3
InChIKeyXTHZZKZLJCZZRA-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.08
Rot. Bonds6

About N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide

N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 4803554) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID4803554
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc(C)cn2)c(OC)c1OC
InChIInChI=1S/C17H21N3O4/c1-11-8-19-13(9-18-11)17(21)20(2)10-12-6-7-14(22-3)16(24-5)15(12)23-4/h6-9H,10H2,1-5H3
InChIKeyXTHZZKZLJCZZRA-UHFFFAOYSA-N
XLogP2.08
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide (CID 4803554) is N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CN(C)C(=O)c2cnc(C)cn2)c(OC)c1OC.
What is the InChIKey of N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is XTHZZKZLJCZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-8-19-13(9-18-11)17(21)20(2)10-12-6-7-14(22-3)16(24-5)15(12)23-4/h6-9H,10H2,1-5H3.
What are the key properties of N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide?
N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4803554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).