5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C17H20N2O4 — CID 77094690

IUPAC5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2nc(C)c(C)cc2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-9-6-12(17(18)20)15(19-10(9)2)11-7-13(21-3)16(23-5)14(8-11)22-4/h6-8H,1-5H3,(H2,18,20)
InChIKeyVNCPEHURGPMSFT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.49
Rot. Bonds5

About 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 77094690) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID77094690
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2nc(C)c(C)cc2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-9-6-12(17(18)20)15(19-10(9)2)11-7-13(21-3)16(23-5)14(8-11)22-4/h6-8H,1-5H3,(H2,18,20)
InChIKeyVNCPEHURGPMSFT-UHFFFAOYSA-N
XLogP2.49
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methylphenyl)-5,6-dimethylpyridine-3-carboxamide
CID 77083473
4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 12813043
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
5,6-dimethoxy-2-methylpyridine-3-carboxamide
CID 174786229
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
CID 86299303
2,5-dimethoxy-4-methylbenzamide
CID 82491295
4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
CID 3043892
7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71069129
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90102182
5-(3,4-difluoro-5-methoxyphenyl)-2-methoxy-3-methylbenzoic acid
CID 69110325
N-[8-methoxy-4-methyl-2-(3,4,5-trimethoxyphenyl)quinolin-5-yl]acetamide
CID 169421100

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 77094690) is 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(-c2nc(C)c(C)cc2C(N)=O)cc(OC)c1OC.
What is the InChIKey of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is VNCPEHURGPMSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9-6-12(17(18)20)15(19-10(9)2)11-7-13(21-3)16(23-5)14(8-11)22-4/h6-8H,1-5H3,(H2,18,20).
What are the key properties of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 77094690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).