5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide

C18H21N3O4 — CID 57218469

IUPAC5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESC=CCCc1nc(OC)c(C(=O)NCc2ccccc2OC)[nH]c1=O
InChIInChI=1S/C18H21N3O4/c1-4-5-9-13-16(22)21-15(18(20-13)25-3)17(23)19-11-12-8-6-7-10-14(12)24-2/h4,6-8,10H,1,5,9,11H2,2-3H3,(H,19,23)(H,21,22)
InChIKeyVQMQGQPMGBWFKA-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.84
Rot. Bonds8

About 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide

5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 57218469) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID57218469
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESC=CCCc1nc(OC)c(C(=O)NCc2ccccc2OC)[nH]c1=O
InChIInChI=1S/C18H21N3O4/c1-4-5-9-13-16(22)21-15(18(20-13)25-3)17(23)19-11-12-8-6-7-10-14(12)24-2/h4,6-8,10H,1,5,9,11H2,2-3H3,(H,19,23)(H,21,22)
InChIKeyVQMQGQPMGBWFKA-UHFFFAOYSA-N
XLogP1.84
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57107842
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9404923
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7930766
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide (CID 57218469) is 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide is C=CCCc1nc(OC)c(C(=O)NCc2ccccc2OC)[nH]c1=O.
What is the InChIKey of 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is VQMQGQPMGBWFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-5-9-13-16(22)21-15(18(20-13)25-3)17(23)19-11-12-8-6-7-10-14(12)24-2/h4,6-8,10H,1,5,9,11H2,2-3H3,(H,19,23)(H,21,22).
What are the key properties of 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide?
5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 57218469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).