5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide

C20H18FN3O4 — CID 169439416

IUPAC5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide
SMILESCOc1cc(-c2cnc(NC(=O)c3cc(F)ccc3OC)c(OC)c2)ccn1
InChIInChI=1S/C20H18FN3O4/c1-26-16-5-4-14(21)10-15(16)20(25)24-19-17(27-2)8-13(11-23-19)12-6-7-22-18(9-12)28-3/h4-11H,1-3H3,(H,23,24,25)
InChIKeyUHBQLLFMACLPGV-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.56
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide

5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide (PubChem CID 169439416) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide
PubChem CID169439416
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide
SMILESCOc1cc(-c2cnc(NC(=O)c3cc(F)ccc3OC)c(OC)c2)ccn1
InChIInChI=1S/C20H18FN3O4/c1-26-16-5-4-14(21)10-15(16)20(25)24-19-17(27-2)8-13(11-23-19)12-6-7-22-18(9-12)28-3/h4-11H,1-3H3,(H,23,24,25)
InChIKeyUHBQLLFMACLPGV-UHFFFAOYSA-N
XLogP3.56
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide (CID 169439416) is 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide is COc1cc(-c2cnc(NC(=O)c3cc(F)ccc3OC)c(OC)c2)ccn1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide?
The InChIKey is UHBQLLFMACLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-26-16-5-4-14(21)10-15(16)20(25)24-19-17(27-2)8-13(11-23-19)12-6-7-22-18(9-12)28-3/h4-11H,1-3H3,(H,23,24,25).
What are the key properties of 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide?
5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide has a molecular weight of 383.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[3-methoxy-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 169439416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).