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

C21H21FN4O3 — CID 109281563

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1OC
InChIInChI=1S/C21H21FN4O3/c1-28-18-8-5-15(9-19(18)29-2)11-24-20-13-23-17(12-25-20)21(27)26-10-14-3-6-16(22)7-4-14/h3-9,12-13H,10-11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyISCQXENBQBKPTA-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.17
Rot. Bonds8

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

5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281563) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281563
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1OC
InChIInChI=1S/C21H21FN4O3/c1-28-18-8-5-15(9-19(18)29-2)11-24-20-13-23-17(12-25-20)21(27)26-10-14-3-6-16(22)7-4-14/h3-9,12-13H,10-11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyISCQXENBQBKPTA-UHFFFAOYSA-N
XLogP3.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285950
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283227

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 109281563) is 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ISCQXENBQBKPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-18-8-5-15(9-19(18)29-2)11-24-20-13-23-17(12-25-20)21(27)26-10-14-3-6-16(22)7-4-14/h3-9,12-13H,10-11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).