3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C22H23N5O3 — CID 167716573

IUPAC3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CNC4(c5ccccn5)CNC4)c3C2=O)C(=O)N1
InChIInChI=1S/C22H23N5O3/c28-18-8-7-16(20(29)26-18)27-11-15-5-3-4-14(19(15)21(27)30)10-25-22(12-23-13-22)17-6-1-2-9-24-17/h1-6,9,16,23,25H,7-8,10-13H2,(H,26,28,29)
InChIKeyNDVMLZYMMNERRC-UHFFFAOYSA-N
MW405.46 g/mol
LogP0.43
Rot. Bonds5

About 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167716573) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167716573
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CNC4(c5ccccn5)CNC4)c3C2=O)C(=O)N1
InChIInChI=1S/C22H23N5O3/c28-18-8-7-16(20(29)26-18)27-11-15-5-3-4-14(19(15)21(27)30)10-25-22(12-23-13-22)17-6-1-2-9-24-17/h1-6,9,16,23,25H,7-8,10-13H2,(H,26,28,29)
InChIKeyNDVMLZYMMNERRC-UHFFFAOYSA-N
XLogP0.43
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[[[3-(methoxymethyl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736092
3-[3-oxo-4-[[[4-(2H-tetrazol-5-yl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725211
3-[4-[[(3-ethylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167720864
3-[3-oxo-4-[[[6-(trifluoromethyl)-2-azaspiro[3.3]heptan-6-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714578
3-[4-[(5-azaspiro[2.3]hexan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716755
3-[4-[[(3-cyclopropylpyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734515
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733317
3-[4-[[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733707
3-[4-[[(3-cyclopropylpyrrolidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715012
3-[4-[(azepan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716560
3-[4-[(3-azabicyclo[3.2.1]octan-1-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726213
3-[4-(4,8-diazabicyclo[5.1.0]octan-8-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719888

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167716573) is 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(CNC4(c5ccccn5)CNC4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NDVMLZYMMNERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-18-8-7-16(20(29)26-18)27-11-15-5-3-4-14(19(15)21(27)30)10-25-22(12-23-13-22)17-6-1-2-9-24-17/h1-6,9,16,23,25H,7-8,10-13H2,(H,26,28,29).
What are the key properties of 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 405.46 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-4-[[(3-pyridin-2-ylazetidin-3-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167716573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).