N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide

C18H23N3O3 — CID 24687321

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnc(C)cn2)cc1OCC
InChIInChI=1S/C18H23N3O3/c1-4-23-16-7-6-14(10-17(16)24-5-2)8-9-19-18(22)15-12-20-13(3)11-21-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyLLVGWRNQTBJNDQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 24687321) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID24687321
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnc(C)cn2)cc1OCC
InChIInChI=1S/C18H23N3O3/c1-4-23-16-7-6-14(10-17(16)24-5-2)8-9-19-18(22)15-12-20-13(3)11-21-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyLLVGWRNQTBJNDQ-UHFFFAOYSA-N
XLogP2.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide (CID 24687321) is N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide is CCOc1ccc(CCNC(=O)c2cnc(C)cn2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is LLVGWRNQTBJNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-23-16-7-6-14(10-17(16)24-5-2)8-9-19-18(22)15-12-20-13(3)11-21-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 24687321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).