3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H19N5O3 — CID 165386856

IUPAC3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[C-]#[N+]c1c(C)cc(-c2ccc3c(c2)[C@@H](C)N(C2CCC(=O)NC2=O)C3=O)nc1N
InChIInChI=1S/C21H19N5O3/c1-10-8-15(24-19(22)18(10)23-3)12-4-5-13-14(9-12)11(2)26(21(13)29)16-6-7-17(27)25-20(16)28/h4-5,8-9,11,16H,6-7H2,1-2H3,(H2,22,24)(H,25,27,28)/t11-,16?/m1/s1
InChIKeyKDZBCYLKYGISPC-ZVDHGWRTSA-N
MW389.42 g/mol
LogP2.51
Rot. Bonds2

About 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165386856) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165386856
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[C-]#[N+]c1c(C)cc(-c2ccc3c(c2)[C@@H](C)N(C2CCC(=O)NC2=O)C3=O)nc1N
InChIInChI=1S/C21H19N5O3/c1-10-8-15(24-19(22)18(10)23-3)12-4-5-13-14(9-12)11(2)26(21(13)29)16-6-7-17(27)25-20(16)28/h4-5,8-9,11,16H,6-7H2,1-2H3,(H2,22,24)(H,25,27,28)/t11-,16?/m1/s1
InChIKeyKDZBCYLKYGISPC-ZVDHGWRTSA-N
XLogP2.51
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
(3S)-3-[5-[4-(6-amino-4,5-dimethyl-2-pyridinyl)-2-fluorophenyl]-2-oxo-1,3-oxazol-3-yl]piperidine-2,6-dione
CID 172581342
3-[6-(4-fluoro-1,5-dimethyl-1,3-dihydroisoindole-2-carbonyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178033027
5-(6-amino-4,5-dimethyl-2-pyridinyl)-4-fluoro-3-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 170077007
3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 139483267
3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156528333
3-[1-methyl-3-oxo-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673280
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
benzyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 155769118
3-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 164736225
(3S)-3-[5-[4-[6-amino-4-methyl-5-(oxan-4-ylmethylamino)-2-pyridinyl]-2-fluorophenyl]-2-oxo-1,3-oxazol-3-yl]piperidine-2,6-dione
CID 176935483
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165386856) is 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [C-]#[N+]c1c(C)cc(-c2ccc3c(c2)[C@@H](C)N(C2CCC(=O)NC2=O)C3=O)nc1N.
What is the InChIKey of 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KDZBCYLKYGISPC-ZVDHGWRTSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-10-8-15(24-19(22)18(10)23-3)12-4-5-13-14(9-12)11(2)26(21(13)29)16-6-7-17(27)25-20(16)28/h4-5,8-9,11,16H,6-7H2,1-2H3,(H2,22,24)(H,25,27,28)/t11-,16?/m1/s1.
What are the key properties of 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 389.42 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165386856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).