5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C21H21N3O3 — CID 95708502

IUPAC5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)c[nH]c(=O)c1C#N
InChIInChI=1S/C21H21N3O3/c1-13-15(11-22)19(26)23-12-16(13)20(27)24-8-6-21(7-9-24)17-5-3-2-4-14(17)10-18(21)25/h2-5,12,18,25H,6-10H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyYWQDXIXJTYHRBV-GOSISDBHSA-N
MW363.42 g/mol
LogP1.65
Rot. Bonds1

About 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 95708502) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID95708502
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)c[nH]c(=O)c1C#N
InChIInChI=1S/C21H21N3O3/c1-13-15(11-22)19(26)23-12-16(13)20(27)24-8-6-21(7-9-24)17-5-3-2-4-14(17)10-18(21)25/h2-5,12,18,25H,6-10H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyYWQDXIXJTYHRBV-GOSISDBHSA-N
XLogP1.65
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 95708502) is 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1c(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)c[nH]c(=O)c1C#N.
What is the InChIKey of 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YWQDXIXJTYHRBV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-15(11-22)19(26)23-12-16(13)20(27)24-8-6-21(7-9-24)17-5-3-2-4-14(17)10-18(21)25/h2-5,12,18,25H,6-10H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 363.42 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 95708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).