methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate

C18H20N2O6 — CID 155916138

IUPACmethyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O6/c1-23-13-7-11(8-14(24-2)17(13)25-3)9-16(21)20-15-10-12(5-6-19-15)18(22)26-4/h5-8,10H,9H2,1-4H3,(H,19,20,21)
InChIKeyLRDLEVWITYYBRV-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.08
Rot. Bonds7

About methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate

methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate (PubChem CID 155916138) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
PubChem CID155916138
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O6/c1-23-13-7-11(8-14(24-2)17(13)25-3)9-16(21)20-15-10-12(5-6-19-15)18(22)26-4/h5-8,10H,9H2,1-4H3,(H,19,20,21)
InChIKeyLRDLEVWITYYBRV-UHFFFAOYSA-N
XLogP2.08
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 45428834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate (CID 155916138) is methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate?
The InChIKey is LRDLEVWITYYBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-23-13-7-11(8-14(24-2)17(13)25-3)9-16(21)20-15-10-12(5-6-19-15)18(22)26-4/h5-8,10H,9H2,1-4H3,(H,19,20,21).
What are the key properties of methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate?
methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 155916138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).