[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate

C19H17NO4 — CID 11232536

IUPAC[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate
SMILESCOc1cnccc1[C@H](C)OC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C19H17NO4/c1-12(14-9-10-20-11-17(14)23-2)24-19(22)16-8-7-13-5-3-4-6-15(13)18(16)21/h3-12,21H,1-2H3/t12-/m0/s1
InChIKeyWTIHXZRBIRLUBA-LBPRGKRZSA-N
MW323.35 g/mol
LogP3.87
Rot. Bonds4

About [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate

[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate (PubChem CID 11232536) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate
PubChem CID11232536
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate
SMILESCOc1cnccc1[C@H](C)OC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C19H17NO4/c1-12(14-9-10-20-11-17(14)23-2)24-19(22)16-8-7-13-5-3-4-6-15(13)18(16)21/h3-12,21H,1-2H3/t12-/m0/s1
InChIKeyWTIHXZRBIRLUBA-LBPRGKRZSA-N
XLogP3.87
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(2-chloro-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 11461591
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468209
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468159
1-(2,3-dimethoxyphenyl)-3-(1-hydroxynaphthalen-2-yl)propane-1,3-dione
CID 141317727
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468177
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 8602918
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7890854
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate
CID 11472701
[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 47011640
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468162

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate (CID 11232536) is [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate is COc1cnccc1[C@H](C)OC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is WTIHXZRBIRLUBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12(14-9-10-20-11-17(14)23-2)24-19(22)16-8-7-13-5-3-4-6-15(13)18(16)21/h3-12,21H,1-2H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate?
[(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-methoxy-4-pyridinyl)ethyl] 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 11232536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).