5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide

C17H22N4O3 — CID 109270813

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H22N4O3/c1-4-7-18-17(22)13-10-21-16(11-19-13)20-9-12-5-6-14(23-2)15(8-12)24-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyGLRPSWHDLXJTMI-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.25
Rot. Bonds8

About 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide

5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide (PubChem CID 109270813) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
PubChem CID109270813
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H22N4O3/c1-4-7-18-17(22)13-10-21-16(11-19-13)20-9-12-5-6-14(23-2)15(8-12)24-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyGLRPSWHDLXJTMI-UHFFFAOYSA-N
XLogP2.25
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
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
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283227
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
CID 109285752
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide (CID 109270813) is 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide is CCCNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide?
The InChIKey is GLRPSWHDLXJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-7-18-17(22)13-10-21-16(11-19-13)20-9-12-5-6-14(23-2)15(8-12)24-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide?
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.25, 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-propylpyrazine-2-carboxamide is sourced from PubChem (CID 109270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).