3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C18H19NO2 — CID 153125872

IUPAC3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1CC[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H19NO2/c20-18(21)17-10-11-19-12-15(17)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,20,21)/t14-/m0/s1
InChIKeyVVUBIRSEDWOHRK-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds4

About 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 153125872) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
PubChem CID153125872
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1CC[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H19NO2/c20-18(21)17-10-11-19-12-15(17)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,20,21)/t14-/m0/s1
InChIKeyVVUBIRSEDWOHRK-AWEZNQCLSA-N
XLogP3.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 148521078
3-[2-[(1S)-6-(N-ethylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 146717869
3-[2-[6-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147505539
3-[2-[(1S)-6-(3-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147537608
3-[2-[(1S)-6-(4-hydroxy-N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147871639
3-[2-[(1S)-6-(3-fluoro-N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147742765
3-[2-[(1S)-6-(4-fluoro-2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 149190357
3-[2-[(1S)-6-[1-benzofuran-6-yl(methyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147011700
3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 159396673
3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 158406274
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
3-[2-[7-(N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 159355880

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 153125872) is 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1CC[C@@H]1CCCc2ccccc21.
What is the InChIKey of 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The InChIKey is VVUBIRSEDWOHRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)17-10-11-19-12-15(17)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 153125872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).