3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

C23H25FN4O2 — CID 25107318

IUPAC3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)cc1F
InChIInChI=1S/C23H25FN4O2/c1-28(2)10-9-26-23(29)17-6-4-5-15(11-17)18-12-19(22(25)27-14-18)16-7-8-21(30-3)20(24)13-16/h4-8,11-14H,9-10H2,1-3H3,(H2,25,27)(H,26,29)
InChIKeyQUQKFSXYOCGNBE-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.44
Rot. Bonds7

About 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 25107318) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID25107318
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)cc1F
InChIInChI=1S/C23H25FN4O2/c1-28(2)10-9-26-23(29)17-6-4-5-15(11-17)18-12-19(22(25)27-14-18)16-7-8-21(30-3)20(24)13-16/h4-8,11-14H,9-10H2,1-3H3,(H2,25,27)(H,26,29)
InChIKeyQUQKFSXYOCGNBE-UHFFFAOYSA-N
XLogP3.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 25107318) is 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is COc1ccc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)cc1F.
What is the InChIKey of 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is QUQKFSXYOCGNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-28(2)10-9-26-23(29)17-6-4-5-15(11-17)18-12-19(22(25)27-14-18)16-7-8-21(30-3)20(24)13-16/h4-8,11-14H,9-10H2,1-3H3,(H2,25,27)(H,26,29).
What are the key properties of 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 25107318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).