3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C20H19N3O2 — CID 50950516

IUPAC3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCOc1ccccc1-c1cccc(C(=O)NCc2cnc(C)cn2)c1
InChIInChI=1S/C20H19N3O2/c1-14-11-22-17(12-21-14)13-23-20(24)16-7-5-6-15(10-16)18-8-3-4-9-19(18)25-2/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyQKPDLHZSOBAELJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.39
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide

3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 50950516) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID50950516
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCOc1ccccc1-c1cccc(C(=O)NCc2cnc(C)cn2)c1
InChIInChI=1S/C20H19N3O2/c1-14-11-22-17(12-21-14)13-23-20(24)16-7-5-6-15(10-16)18-8-3-4-9-19(18)25-2/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyQKPDLHZSOBAELJ-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]benzoate
CID 91357324
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide
CID 170360798
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018
6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3234919
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
3-(2-methoxyphenyl)benzoic acid
CID 2759547
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 50950516) is 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide is COc1ccccc1-c1cccc(C(=O)NCc2cnc(C)cn2)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is QKPDLHZSOBAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-11-22-17(12-21-14)13-23-20(24)16-7-5-6-15(10-16)18-8-3-4-9-19(18)25-2/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 50950516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).