4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide

C15H16FN3O — CID 62996754

IUPAC4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
SMILESCc1ccc(CNCc2cc(C(N)=O)ccc2F)cn1
InChIInChI=1S/C15H16FN3O/c1-10-2-3-11(8-19-10)7-18-9-13-6-12(15(17)20)4-5-14(13)16/h2-6,8,18H,7,9H2,1H3,(H2,17,20)
InChIKeyJLQGEWUDZIJZQM-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.92
Rot. Bonds5

About 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide

4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide (PubChem CID 62996754) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
PubChem CID62996754
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
SMILESCc1ccc(CNCc2cc(C(N)=O)ccc2F)cn1
InChIInChI=1S/C15H16FN3O/c1-10-2-3-11(8-19-10)7-18-9-13-6-12(15(17)20)4-5-14(13)16/h2-6,8,18H,7,9H2,1H3,(H2,17,20)
InChIKeyJLQGEWUDZIJZQM-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide (CID 62996754) is 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide is Cc1ccc(CNCc2cc(C(N)=O)ccc2F)cn1.
What is the InChIKey of 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide?
The InChIKey is JLQGEWUDZIJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-2-3-11(8-19-10)7-18-9-13-6-12(15(17)20)4-5-14(13)16/h2-6,8,18H,7,9H2,1H3,(H2,17,20).
What are the key properties of 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide?
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide is sourced from PubChem (CID 62996754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).