3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide

C15H15FN2O2 — CID 154795745

IUPAC3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(C)cc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-10-6-11(8-12(16)7-10)15(19)17-9-13-4-3-5-14(18-13)20-2/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyPMUWKBLNBPJFOC-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.47
Rot. Bonds4

About 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide

3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide (PubChem CID 154795745) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
PubChem CID154795745
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(C)cc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-10-6-11(8-12(16)7-10)15(19)17-9-13-4-3-5-14(18-13)20-2/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyPMUWKBLNBPJFOC-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138041888
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111232770
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-[(6-methoxy-2-pyridinyl)methyl]-5,7-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 155351911
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
2-[(6-methoxy-2-pyridinyl)methylamino]oxyacetamide
CID 112673964
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide (CID 154795745) is 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide is COc1cccc(CNC(=O)c2cc(C)cc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
The InChIKey is PMUWKBLNBPJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-6-11(8-12(16)7-10)15(19)17-9-13-4-3-5-14(18-13)20-2/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 154795745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).