3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid

C20H21NO2 — CID 157128486

IUPAC3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
SMILESCc1cc(C)c2c(c1)C(CCc1cnccc1C(=O)O)=CCC2
InChIInChI=1S/C20H21NO2/c1-13-10-14(2)17-5-3-4-15(19(17)11-13)6-7-16-12-21-9-8-18(16)20(22)23/h4,8-12H,3,5-7H2,1-2H3,(H,22,23)
InChIKeyAITXFQHRBYGVNK-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.36
Rot. Bonds4

About 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid

3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid (PubChem CID 157128486) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
PubChem CID157128486
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
SMILESCc1cc(C)c2c(c1)C(CCc1cnccc1C(=O)O)=CCC2
InChIInChI=1S/C20H21NO2/c1-13-10-14(2)17-5-3-4-15(19(17)11-13)6-7-16-12-21-9-8-18(16)20(22)23/h4,8-12H,3,5-7H2,1-2H3,(H,22,23)
InChIKeyAITXFQHRBYGVNK-UHFFFAOYSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
CID 147827260
N'-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)pyridine-3-carbohydrazide
CID 2451304
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
3-[2-[(1S)-2-methyl-6-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-2-methyl-6-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 159188249
3-[2-[(4S)-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 153106852
3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 159396673
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
3-[2-[(1S)-6-(3-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147537608
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 153125872
3-[2-[7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 158359004
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid (CID 157128486) is 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid is Cc1cc(C)c2c(c1)C(CCc1cnccc1C(=O)O)=CCC2.
What is the InChIKey of 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?
The InChIKey is AITXFQHRBYGVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-10-14(2)17-5-3-4-15(19(17)11-13)6-7-16-12-21-9-8-18(16)20(22)23/h4,8-12H,3,5-7H2,1-2H3,(H,22,23).
What are the key properties of 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid?
3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157128486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).