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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Related Compounds

Gsk-207040
CID 10473209
Bevenopran
CID 10452732
5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 10216322
N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
CID 10216436
N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 6498566
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
N-(m-Tolyl)-6-(4-ethoxyphenyl)-pyrazine-2-carboxamide
CID 52947201
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(2-{[(3,4-dimethylphenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498569
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 9119439
N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 16552535
Pyrazine-2-carboxylic acid, (6-ethoxy-2-oxo-1,2-dihydroquinolin-3-ylmethyl)-phenethylamide
CID 649672

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).