3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

C22H20N2O5 — CID 3767848

IUPAC3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-27-18-12-16(13-19(28-2)21(18)29-3)22(26)24-17-6-4-14(5-7-17)20(25)15-8-10-23-11-9-15/h4-13H,1-3H3,(H,24,26)
InChIKeyMJJZCQPKOVQJNG-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.59
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (PubChem CID 3767848) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
PubChem CID3767848
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-27-18-12-16(13-19(28-2)21(18)29-3)22(26)24-17-6-4-14(5-7-17)20(25)15-8-10-23-11-9-15/h4-13H,1-3H3,(H,24,26)
InChIKeyMJJZCQPKOVQJNG-UHFFFAOYSA-N
XLogP3.59
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (CID 3767848) is 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The InChIKey is MJJZCQPKOVQJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-27-18-12-16(13-19(28-2)21(18)29-3)22(26)24-17-6-4-14(5-7-17)20(25)15-8-10-23-11-9-15/h4-13H,1-3H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 3767848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).