pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

C19H20N2O4 — CID 148844189

IUPACpyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
SMILESO=C(CC1CCc2ccc(C(=O)NO)cc2C1)OCc1cccnc1
InChIInChI=1S/C19H20N2O4/c22-18(25-12-14-2-1-7-20-11-14)9-13-3-4-15-5-6-16(19(23)21-24)10-17(15)8-13/h1-2,5-7,10-11,13,24H,3-4,8-9,12H2,(H,21,23)
InChIKeyOWDCKOYJSWDORT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.44
Rot. Bonds5

About pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate

pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate (PubChem CID 148844189) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
PubChem CID148844189
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namepyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
SMILESO=C(CC1CCc2ccc(C(=O)NO)cc2C1)OCc1cccnc1
InChIInChI=1S/C19H20N2O4/c22-18(25-12-14-2-1-7-20-11-14)9-13-3-4-15-5-6-16(19(23)21-24)10-17(15)8-13/h1-2,5-7,10-11,13,24H,3-4,8-9,12H2,(H,21,23)
InChIKeyOWDCKOYJSWDORT-UHFFFAOYSA-N
XLogP2.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 70049815
2-[6-[[4-[N'-(pyridin-3-ylmethyl)carbamimidoyl]benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 70078790
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-hydroxy-3-(pyridin-3-ylmethoxy)quinoxaline-6-carboxamide
CID 162733708
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 158319382
pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75482196
ethyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 10808900
ethyl 2-[7-[[4-[(4-methylpiperazin-1-yl)iminomethyl]phenyl]carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 70091164
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The IUPAC name of pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate (CID 148844189) is pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate.
What is the SMILES notation for pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The canonical SMILES for pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate is O=C(CC1CCc2ccc(C(=O)NO)cc2C1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
The InChIKey is OWDCKOYJSWDORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(25-12-14-2-1-7-20-11-14)9-13-3-4-15-5-6-16(19(23)21-24)10-17(15)8-13/h1-2,5-7,10-11,13,24H,3-4,8-9,12H2,(H,21,23).
What are the key properties of pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate?
pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate has a molecular weight of 340.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 2-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate is sourced from PubChem (CID 148844189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).