methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate

C19H17NO4 — CID 54682655

IUPACmethyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2cccc3ccccc23)c1=O
InChIInChI=1S/C19H17NO4/c1-24-18(22)11-16-17(21)9-10-20(19(16)23)12-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,21H,11-12H2,1H3
InChIKeySKXNJJNHQHIVNP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate

methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate (PubChem CID 54682655) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate
PubChem CID54682655
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2cccc3ccccc23)c1=O
InChIInChI=1S/C19H17NO4/c1-24-18(22)11-16-17(21)9-10-20(19(16)23)12-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,21H,11-12H2,1H3
InChIKeySKXNJJNHQHIVNP-UHFFFAOYSA-N
XLogP2.47
TPSA68.53 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-hydroxy-2-oxo-1-(thiophen-2-ylmethyl)-3-pyridinyl]acetate
CID 54687305
methyl 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
CID 54707837
methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 104859148
methyl 2-[4-[(2S)-3-[[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]-2-[(2-naphthalen-1-ylacetyl)amino]-3-oxopropyl]phenyl]acetate
CID 10875839
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
CID 62370147
methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
(3R)-3-[[1-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]carbamoylamino]-4-naphthalen-1-ylbutanoic acid
CID 66768689
methyl 2-[1-[(2,3-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetate
CID 123611360
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate (CID 54682655) is methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate is COC(=O)Cc1c(O)ccn(Cc2cccc3ccccc23)c1=O.
What is the InChIKey of methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate?
The InChIKey is SKXNJJNHQHIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-24-18(22)11-16-17(21)9-10-20(19(16)23)12-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,21H,11-12H2,1H3.
What are the key properties of methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate?
methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate has a molecular weight of 323.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxo-3-pyridinyl]acetate is sourced from PubChem (CID 54682655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).