ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C19H21NO2 — CID 138595746

IUPACethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C)ccn2)c2c1CCCC2
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)17-9-8-16(14-6-4-5-7-15(14)17)18-12-13(2)10-11-20-18/h8-12H,3-7H2,1-2H3
InChIKeyRNPATUMRWLGOMD-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.11
Rot. Bonds3

About ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 138595746) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID138595746
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C)ccn2)c2c1CCCC2
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)17-9-8-16(14-6-4-5-7-15(14)17)18-12-13(2)10-11-20-18/h8-12H,3-7H2,1-2H3
InChIKeyRNPATUMRWLGOMD-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 170361396
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530
4-ethoxycarbonyl-2-methylbenzenecarbothioic S-acid
CID 87277045
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
CID 116532924
ethyl 4,7-bis(3,5-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxylate
CID 53344379
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
CID 174669716

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 138595746) is ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is CCOC(=O)c1ccc(-c2cc(C)ccn2)c2c1CCCC2.
What is the InChIKey of ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is RNPATUMRWLGOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-22-19(21)17-9-8-16(14-6-4-5-7-15(14)17)18-12-13(2)10-11-20-18/h8-12H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 138595746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).