5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide

C19H26N4O3 — CID 109285752

IUPAC5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C19H26N4O3/c1-5-23(6-2)19(24)15-12-22-18(13-21-15)20-10-9-14-7-8-16(25-3)17(11-14)26-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,22)
InChIKeyOORJCAXOQZEGBM-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.63
Rot. Bonds9

About 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide (PubChem CID 109285752) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
PubChem CID109285752
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(NCCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C19H26N4O3/c1-5-23(6-2)19(24)15-12-22-18(13-21-15)20-10-9-14-7-8-16(25-3)17(11-14)26-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,22)
InChIKeyOORJCAXOQZEGBM-UHFFFAOYSA-N
XLogP2.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109285764
5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278454
5-[3-(3-ethoxy-4-methoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053887
5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053945
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283227
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285830
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280656

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide (CID 109285752) is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide is CCN(CC)C(=O)c1cnc(NCCc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide?
The InChIKey is OORJCAXOQZEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-23(6-2)19(24)15-12-22-18(13-21-15)20-10-9-14-7-8-16(25-3)17(11-14)26-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,22).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide?
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide is sourced from PubChem (CID 109285752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).