N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide

C26H31N3O6 — CID 57192544

IUPACN-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2[nH]c(=O)c(CC(C)C)nc2OC)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H31N3O6/c1-16(2)11-19-24(30)29-22(26(28-19)34-5)25(31)27-14-18-12-20(32-3)23(21(13-18)33-4)35-15-17-9-7-6-8-10-17/h6-10,12-13,16H,11,14-15H2,1-5H3,(H,27,31)(H,29,30)
InChIKeyYFZRWXPGWMPMDL-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.50
Rot. Bonds11

About N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide

N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 57192544) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID57192544
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC NameN-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2[nH]c(=O)c(CC(C)C)nc2OC)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H31N3O6/c1-16(2)11-19-24(30)29-22(26(28-19)34-5)25(31)27-14-18-12-20(32-3)23(21(13-18)33-4)35-15-17-9-7-6-8-10-17/h6-10,12-13,16H,11,14-15H2,1-5H3,(H,27,31)(H,29,30)
InChIKeyYFZRWXPGWMPMDL-UHFFFAOYSA-N
XLogP3.50
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57310985
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57107842
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
CID 55602174
6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 56992924
5-but-3-enyl-3-methoxy-N-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrazine-2-carboxamide
CID 57218469
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52608395
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide
CID 38123236
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide (CID 57192544) is N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide is COc1cc(CNC(=O)c2[nH]c(=O)c(CC(C)C)nc2OC)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is YFZRWXPGWMPMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-16(2)11-19-24(30)29-22(26(28-19)34-5)25(31)27-14-18-12-20(32-3)23(21(13-18)33-4)35-15-17-9-7-6-8-10-17/h6-10,12-13,16H,11,14-15H2,1-5H3,(H,27,31)(H,29,30).
What are the key properties of N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 57192544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).