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

C22H24N4O3 — CID 109285764

IUPAC5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(CCNc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-26(17-7-5-4-6-8-17)22(27)18-14-25-21(15-24-18)23-12-11-16-9-10-19(28-2)20(13-16)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,23,25)
InChIKeyVVWZKXDRELXEOT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.42
Rot. Bonds8

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

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109285764) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID109285764
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(CCNc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-26(17-7-5-4-6-8-17)22(27)18-14-25-21(15-24-18)23-12-11-16-9-10-19(28-2)20(13-16)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,23,25)
InChIKeyVVWZKXDRELXEOT-UHFFFAOYSA-N
XLogP3.42
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
CID 109285752
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
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
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278454
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
5-[3-(3-ethoxy-4-methoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053887
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
2-[(3,4-dimethoxyphenyl)methylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109331757
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide (CID 109285764) is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide is COc1ccc(CCNc2cnc(C(=O)N(C)c3ccccc3)cn2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is VVWZKXDRELXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26(17-7-5-4-6-8-17)22(27)18-14-25-21(15-24-18)23-12-11-16-9-10-19(28-2)20(13-16)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide?
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.42, 8 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-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109285764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).