4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide

C22H20N2O5 — CID 155518214

IUPAC4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-27-18-11-15(12-19(28-2)21(18)29-3)20(25)17-6-4-5-16(24-17)13-7-9-14(10-8-13)22(23)26/h4-12H,1-3H3,(H2,23,26)
InChIKeyKSXXIKIINKLRIE-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.10
Rot. Bonds7

About 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide

4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide (PubChem CID 155518214) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide
PubChem CID155518214
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-27-18-11-15(12-19(28-2)21(18)29-3)20(25)17-6-4-5-16(24-17)13-7-9-14(10-8-13)22(23)26/h4-12H,1-3H3,(H2,23,26)
InChIKeyKSXXIKIINKLRIE-UHFFFAOYSA-N
XLogP3.10
TPSA100.74 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide (CID 155518214) is 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide is COc1cc(C(=O)c2cccc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide?
The InChIKey is KSXXIKIINKLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-27-18-11-15(12-19(28-2)21(18)29-3)20(25)17-6-4-5-16(24-17)13-7-9-14(10-8-13)22(23)26/h4-12H,1-3H3,(H2,23,26).
What are the key properties of 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide?
4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4,5-trimethoxybenzoyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 155518214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).