3,4,5-trimethoxy-N-pyridin-3-ylbenzamide

C15H16N2O4 — CID 678080

IUPAC3,4,5-trimethoxy-N-pyridin-3-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h4-9H,1-3H3,(H,17,18)
InChIKeyPGTYKYABUDWSST-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.36
Rot. Bonds5

About 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide

3,4,5-trimethoxy-N-pyridin-3-ylbenzamide (PubChem CID 678080) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-pyridin-3-ylbenzamide
PubChem CID678080
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3,4,5-trimethoxy-N-pyridin-3-ylbenzamide
SMILESCOc1cc(C(=O)Nc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h4-9H,1-3H3,(H,17,18)
InChIKeyPGTYKYABUDWSST-UHFFFAOYSA-N
XLogP2.36
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide (CID 678080) is 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide is COc1cc(C(=O)Nc2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is PGTYKYABUDWSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide?
3,4,5-trimethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 288.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 678080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).