3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide

C20H19N3O3 — CID 113034061

IUPAC3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)c1
InChIInChI=1S/C20H19N3O3/c1-25-17-7-3-5-14(11-17)20(24)23-19-10-9-16(13-21-19)22-15-6-4-8-18(12-15)26-2/h3-13,22H,1-2H3,(H,21,23,24)
InChIKeyGUQFUGNARQLFMX-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.09
Rot. Bonds6

About 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide

3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide (PubChem CID 113034061) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
PubChem CID113034061
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)c1
InChIInChI=1S/C20H19N3O3/c1-25-17-7-3-5-14(11-17)20(24)23-19-10-9-16(13-21-19)22-15-6-4-8-18(12-15)26-2/h3-13,22H,1-2H3,(H,21,23,24)
InChIKeyGUQFUGNARQLFMX-UHFFFAOYSA-N
XLogP4.09
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide (CID 113034061) is 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide is COc1cccc(Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)c1.
What is the InChIKey of 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
The InChIKey is GUQFUGNARQLFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-7-3-5-14(11-17)20(24)23-19-10-9-16(13-21-19)22-15-6-4-8-18(12-15)26-2/h3-13,22H,1-2H3,(H,21,23,24).
What are the key properties of 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide?
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113034061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).