N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide

C26H22FN3O3 — CID 58103333

IUPACN-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide
SMILESCOc1cccc(CCOc2cccc(-c3cccc(C(=O)Nc4ccc(F)nc4)c3)n2)c1
InChIInChI=1S/C26H22FN3O3/c1-32-22-8-2-5-18(15-22)13-14-33-25-10-4-9-23(30-25)19-6-3-7-20(16-19)26(31)29-21-11-12-24(27)28-17-21/h2-12,15-17H,13-14H2,1H3,(H,29,31)
InChIKeyMNUHRUPDSVVRLB-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.17
Rot. Bonds8

About N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide

N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide (PubChem CID 58103333) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide
PubChem CID58103333
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide
SMILESCOc1cccc(CCOc2cccc(-c3cccc(C(=O)Nc4ccc(F)nc4)c3)n2)c1
InChIInChI=1S/C26H22FN3O3/c1-32-22-8-2-5-18(15-22)13-14-33-25-10-4-9-23(30-25)19-6-3-7-20(16-19)26(31)29-21-11-12-24(27)28-17-21/h2-12,15-17H,13-14H2,1H3,(H,29,31)
InChIKeyMNUHRUPDSVVRLB-UHFFFAOYSA-N
XLogP5.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide (CID 58103333) is N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide is COc1cccc(CCOc2cccc(-c3cccc(C(=O)Nc4ccc(F)nc4)c3)n2)c1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
The InChIKey is MNUHRUPDSVVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-32-22-8-2-5-18(15-22)13-14-33-25-10-4-9-23(30-25)19-6-3-7-20(16-19)26(31)29-21-11-12-24(27)28-17-21/h2-12,15-17H,13-14H2,1H3,(H,29,31).
What are the key properties of N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide?
N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide has a molecular weight of 443.48 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-3-[6-[2-(3-methoxyphenyl)ethoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 58103333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).