N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

C22H24N4O3 — CID 109285896

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-17(15(14)2)26-21-13-23-18(12-24-21)22(27)25-11-16-8-9-19(28-3)20(10-16)29-4/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyLDAMSRMAEFBWQI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109285896) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109285896
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-17(15(14)2)26-21-13-23-18(12-24-21)22(27)25-11-16-8-9-19(28-3)20(10-16)29-4/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyLDAMSRMAEFBWQI-UHFFFAOYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (CID 109285896) is N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3cccc(C)c3C)cn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is LDAMSRMAEFBWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-6-5-7-17(15(14)2)26-21-13-23-18(12-24-21)22(27)25-11-16-8-9-19(28-3)20(10-16)29-4/h5-10,12-13H,11H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109285896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).