8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C18H19FN2O2 — CID 167801735

IUPAC8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(CNCc1ccncc1F)CCC2
InChIInChI=1S/C18H19FN2O2/c19-17-11-20-7-6-15(17)10-21-9-14-3-1-2-12-4-5-13(18(22)23)8-16(12)14/h4-8,11,14,21H,1-3,9-10H2,(H,22,23)
InChIKeyJZLDEOJPIBQNPW-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.13
Rot. Bonds5

About 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 167801735) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID167801735
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(CNCc1ccncc1F)CCC2
InChIInChI=1S/C18H19FN2O2/c19-17-11-20-7-6-15(17)10-21-9-14-3-1-2-12-4-5-13(18(22)23)8-16(12)14/h4-8,11,14,21H,1-3,9-10H2,(H,22,23)
InChIKeyJZLDEOJPIBQNPW-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid with MolForge

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Related Compounds

8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167909496
8-[(1H-indol-5-ylmethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 138028414
ethane;3-[(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 144987205
8-[[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 123605064
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 153125872
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
CID 107453491
2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543388
methyl 3-[[(1R)-7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118597848
8-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 123685904
N-[(2-ethylphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64681155
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787

Frequently Asked Questions

What is the IUPAC name of 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 167801735) is 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(CNCc1ccncc1F)CCC2.
What is the InChIKey of 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is JZLDEOJPIBQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-17-11-20-7-6-15(17)10-21-9-14-3-1-2-12-4-5-13(18(22)23)8-16(12)14/h4-8,11,14,21H,1-3,9-10H2,(H,22,23).
What are the key properties of 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3-fluoro-4-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 167801735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).