6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide

C15H15NO6 — CID 110697559

IUPAC6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(=O)oc2)cc(OC)c1OC
InChIInChI=1S/C15H15NO6/c1-19-11-6-10(7-12(20-2)14(11)21-3)16-15(18)9-4-5-13(17)22-8-9/h4-8H,1-3H3,(H,16,18)
InChIKeyXKBKWZVVHGWBSK-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.92
Rot. Bonds5

About 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide

6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide (PubChem CID 110697559) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
PubChem CID110697559
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(=O)oc2)cc(OC)c1OC
InChIInChI=1S/C15H15NO6/c1-19-11-6-10(7-12(20-2)14(11)21-3)16-15(18)9-4-5-13(17)22-8-9/h4-8H,1-3H3,(H,16,18)
InChIKeyXKBKWZVVHGWBSK-UHFFFAOYSA-N
XLogP1.92
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 63744614
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
N-(3-methylphenyl)-6-oxopyran-3-carboxamide
CID 110697514
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
4-bromo-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26697659

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide (CID 110697559) is 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide is COc1cc(NC(=O)c2ccc(=O)oc2)cc(OC)c1OC.
What is the InChIKey of 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide?
The InChIKey is XKBKWZVVHGWBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-19-11-6-10(7-12(20-2)14(11)21-3)16-15(18)9-4-5-13(17)22-8-9/h4-8H,1-3H3,(H,16,18).
What are the key properties of 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide?
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide is sourced from PubChem (CID 110697559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).