[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate

C20H19NO3 — CID 11472701

IUPAC[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)O[C@H](C)c1ccncc1
InChIInChI=1S/C20H19NO3/c1-3-23-18-9-8-16-6-4-5-7-17(16)19(18)20(22)24-14(2)15-10-12-21-13-11-15/h4-14H,3H2,1-2H3/t14-/m1/s1
InChIKeyZEYVJCIMFKQMOM-CQSZACIVSA-N
MW321.38 g/mol
LogP4.55
Rot. Bonds5

About [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate

[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate (PubChem CID 11472701) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate
PubChem CID11472701
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate
SMILESCCOc1ccc2ccccc2c1C(=O)O[C@H](C)c1ccncc1
InChIInChI=1S/C20H19NO3/c1-3-23-18-9-8-16-6-4-5-7-17(16)19(18)20(22)24-14(2)15-10-12-21-13-11-15/h4-14H,3H2,1-2H3/t14-/m1/s1
InChIKeyZEYVJCIMFKQMOM-CQSZACIVSA-N
XLogP4.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
CID 66469435
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
CID 82051032
1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
CID 142273790
methyl 4-(2-ethoxynaphthalen-1-yl)-4-oxobutanoate
CID 82550382
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide
CID 86266207
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate?
The IUPAC name of [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate (CID 11472701) is [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate.
What is the SMILES notation for [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate?
The canonical SMILES for [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate is CCOc1ccc2ccccc2c1C(=O)O[C@H](C)c1ccncc1.
What is the InChIKey of [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate?
The InChIKey is ZEYVJCIMFKQMOM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-23-18-9-8-16-6-4-5-7-17(16)19(18)20(22)24-14(2)15-10-12-21-13-11-15/h4-14H,3H2,1-2H3/t14-/m1/s1.
What are the key properties of [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate?
[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 11472701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).