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

C21H21N3O3 — CID 95708501

IUPAC5-[(2S)-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-/m0/s1
InChIKeyYWQDXIXJTYHRBV-SFHVURJKSA-N
MW363.42 g/mol
LogP1.65
Rot. Bonds1

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

5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 95708501) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID95708501
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[(2S)-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-/m0/s1
InChIKeyYWQDXIXJTYHRBV-SFHVURJKSA-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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Related Compounds

5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 56894274
1'-[3-(1-Piperazinyl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56909026
3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 95724033
1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 155754382
5-[(1Z)-buta-1,3-dienyl]-4-[4-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)piperidin-1-yl]-1,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 169972077
5-({(2R*,3R*)-3-[ethyl(methyl)amino]-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}carbonyl)-2(1H)-pyridinone
CID 28230624
1-[3-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-oxopropyl]-6-methyl-2(1H)-pyridinone
CID 56883596
2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)carbonyl]-4-methylnicotinonitrile
CID 56883789
4-hydroxy-5-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 56887309
5-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-oxoethyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 56887988
1'-[(3E)-3-pentenoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56889620
3-chloro-5-[(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)carbonyl]-2(1H)-pyridinone
CID 56909355

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 95708501) is 5-[(2S)-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-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2S)-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-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YWQDXIXJTYHRBV-SFHVURJKSA-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-/m0/s1.
What are the key properties of 5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(2S)-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-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 95708501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).