2,6-dimethoxy-N-pyridin-4-ylbenzamide

C14H14N2O3 — CID 825634

IUPAC2,6-dimethoxy-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccncc1
InChIInChI=1S/C14H14N2O3/c1-18-11-4-3-5-12(19-2)13(11)14(17)16-10-6-8-15-9-7-10/h3-9H,1-2H3,(H,15,16,17)
InChIKeyDSHSHUXCIGOFOT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.35
Rot. Bonds4

About 2,6-dimethoxy-N-pyridin-4-ylbenzamide

2,6-dimethoxy-N-pyridin-4-ylbenzamide (PubChem CID 825634) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,6-dimethoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-pyridin-4-ylbenzamide
PubChem CID825634
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,6-dimethoxy-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccncc1
InChIInChI=1S/C14H14N2O3/c1-18-11-4-3-5-12(19-2)13(11)14(17)16-10-6-8-15-9-7-10/h3-9H,1-2H3,(H,15,16,17)
InChIKeyDSHSHUXCIGOFOT-UHFFFAOYSA-N
XLogP2.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,6-dimethoxy-N-pyridin-4-ylbenzamide (CID 825634) is 2,6-dimethoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,6-dimethoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,6-dimethoxy-N-pyridin-4-ylbenzamide is COc1cccc(OC)c1C(=O)Nc1ccncc1.
What is the InChIKey of 2,6-dimethoxy-N-pyridin-4-ylbenzamide?
The InChIKey is DSHSHUXCIGOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-11-4-3-5-12(19-2)13(11)14(17)16-10-6-8-15-9-7-10/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 2,6-dimethoxy-N-pyridin-4-ylbenzamide?
2,6-dimethoxy-N-pyridin-4-ylbenzamide has a molecular weight of 258.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 825634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).