methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate

C20H20N2O4 — CID 175930136

IUPACmethyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccc2c(c1)C(=O)OC1(CCNCC1)C2
InChIInChI=1S/C20H20N2O4/c1-25-18(23)15-3-2-8-22-17(15)13-4-5-14-12-20(6-9-21-10-7-20)26-19(24)16(14)11-13/h2-5,8,11,21H,6-7,9-10,12H2,1H3
InChIKeyGDMGZFYUMWOVJA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.37
Rot. Bonds2

About methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate

methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate (PubChem CID 175930136) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate
PubChem CID175930136
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1ccc2c(c1)C(=O)OC1(CCNCC1)C2
InChIInChI=1S/C20H20N2O4/c1-25-18(23)15-3-2-8-22-17(15)13-4-5-14-12-20(6-9-21-10-7-20)26-19(24)16(14)11-13/h2-5,8,11,21H,6-7,9-10,12H2,1H3
InChIKeyGDMGZFYUMWOVJA-UHFFFAOYSA-N
XLogP2.37
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(5-methoxycarbonyl-3-pyridinyl)-1-oxospiro[4H-isochromene-3,4'-piperidine]-1'-carboxylic acid
CID 137374623
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride
CID 175982491
methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 13246897
methyl 2-[[(3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate
CID 41493726
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
7-propan-2-ylspiro[4H-isochromene-3,4'-piperidin-1-ium]-1-one chloride
CID 137374615
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
methyl 2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-13-carboxylate
CID 18715440

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate (CID 175930136) is methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1-c1ccc2c(c1)C(=O)OC1(CCNCC1)C2.
What is the InChIKey of methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate?
The InChIKey is GDMGZFYUMWOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-18(23)15-3-2-8-22-17(15)13-4-5-14-12-20(6-9-21-10-7-20)26-19(24)16(14)11-13/h2-5,8,11,21H,6-7,9-10,12H2,1H3.
What are the key properties of methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate?
methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate is sourced from PubChem (CID 175930136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).