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

C18H22N2O4 — CID 780282

IUPAC3,4,5-triethoxy-N-pyridin-3-ylbenzamide
SMILESCCOc1cc(C(=O)Nc2cccnc2)cc(OCC)c1OCC
InChIInChI=1S/C18H22N2O4/c1-4-22-15-10-13(11-16(23-5-2)17(15)24-6-3)18(21)20-14-8-7-9-19-12-14/h7-12H,4-6H2,1-3H3,(H,20,21)
InChIKeyPHHCLTOYQKAXLJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.53
Rot. Bonds8

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

3,4,5-triethoxy-N-pyridin-3-ylbenzamide (PubChem CID 780282) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-pyridin-3-ylbenzamide
PubChem CID780282
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3,4,5-triethoxy-N-pyridin-3-ylbenzamide
SMILESCCOc1cc(C(=O)Nc2cccnc2)cc(OCC)c1OCC
InChIInChI=1S/C18H22N2O4/c1-4-22-15-10-13(11-16(23-5-2)17(15)24-6-3)18(21)20-14-8-7-9-19-12-14/h7-12H,4-6H2,1-3H3,(H,20,21)
InChIKeyPHHCLTOYQKAXLJ-UHFFFAOYSA-N
XLogP3.53
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3,4,5-triethoxy-N-pyridin-3-ylbenzamide (CID 780282) is 3,4,5-triethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3,4,5-triethoxy-N-pyridin-3-ylbenzamide is CCOc1cc(C(=O)Nc2cccnc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is PHHCLTOYQKAXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-22-15-10-13(11-16(23-5-2)17(15)24-6-3)18(21)20-14-8-7-9-19-12-14/h7-12H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 3,4,5-triethoxy-N-pyridin-3-ylbenzamide?
3,4,5-triethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 330.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 780282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).