2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide

C16H18N2O4 — CID 778100

IUPAC2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)n2)c(OC)c1OC
InChIInChI=1S/C16H18N2O4/c1-10-6-5-7-13(17-10)18-16(19)11-8-9-12(20-2)15(22-4)14(11)21-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyFCDCYLPDXXEZOE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.67
Rot. Bonds5

About 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide

2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 778100) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID778100
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)n2)c(OC)c1OC
InChIInChI=1S/C16H18N2O4/c1-10-6-5-7-13(17-10)18-16(19)11-8-9-12(20-2)15(22-4)14(11)21-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyFCDCYLPDXXEZOE-UHFFFAOYSA-N
XLogP2.67
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide (CID 778100) is 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide is COc1ccc(C(=O)Nc2cccc(C)n2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is FCDCYLPDXXEZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-6-5-7-13(17-10)18-16(19)11-8-9-12(20-2)15(22-4)14(11)21-3/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide?
2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 302.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 778100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).