3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

C18H19FN2O3 — CID 77107918

IUPAC3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc2c(c1F)CCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C18H19FN2O3/c1-24-16-6-5-12-11(3-2-4-13(12)17(16)19)9-21-15-10-20-8-7-14(15)18(22)23/h5-8,10-11,21H,2-4,9H2,1H3,(H,22,23)
InChIKeyOPLTZLIESPKTMJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.46
Rot. Bonds5

About 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 77107918) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID77107918
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc2c(c1F)CCCC2CNc1cnccc1C(=O)O
InChIInChI=1S/C18H19FN2O3/c1-24-16-6-5-12-11(3-2-4-13(12)17(16)19)9-21-15-10-20-8-7-14(15)18(22)23/h5-8,10-11,21H,2-4,9H2,1H3,(H,22,23)
InChIKeyOPLTZLIESPKTMJ-UHFFFAOYSA-N
XLogP3.46
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid with MolForge

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Related Compounds

Zavondemstat
CID 118597685
3-({[(1r)-6-Methoxy-1,2,3,4-Tetrahydronaphthalen-1-Yl]methyl}amino)pyridine-4-Carboxylic Acid
CID 90253505
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
US9611221, Example 46
CID 77107119
US9611221, Example 47
CID 77107120
US10179769, Example 48
CID 77107121
3-[(6-Phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
3-[(4-Methoxybenzyl)amino]pyridine-4-carboxylic acid
CID 59699608
3-[[(1R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 145976182
Lithium 3-[4-(3-ethoxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 24987183
Lithium;3-[4-(3-methoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-4-carboxylate
CID 24987187
Lithium;3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate
CID 24987532

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid (CID 77107918) is 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is COc1ccc2c(c1F)CCCC2CNc1cnccc1C(=O)O.
What is the InChIKey of 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is OPLTZLIESPKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-16-6-5-12-11(3-2-4-13(12)17(16)19)9-21-15-10-20-8-7-14(15)18(22)23/h5-8,10-11,21H,2-4,9H2,1H3,(H,22,23).
What are the key properties of 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid?
3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 77107918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).