N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium

C15H19N3O3Y-2 — CID 155787459

IUPACN-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium
SMILESC[C-](C)C.O=C1CCC(NC(=O)c2c[c-]ccn2)C(=O)N1.[Y]
InChIInChI=1S/C11H10N3O3.C4H9.Y/c15-9-5-4-8(11(17)14-9)13-10(16)7-3-1-2-6-12-7;1-4(2)3;/h2-3,6,8H,4-5H2,(H,13,16)(H,14,15,17);1-3H3;/q2*-1;
InChIKeyILZIXWYTOGSWFB-UHFFFAOYSA-N
MW378.24 g/mol
LogP1.03
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium

N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium (PubChem CID 155787459) has the molecular formula C15H19N3O3Y-2 and a molecular weight of 378.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium
PubChem CID155787459
Molecular FormulaC15H19N3O3Y-2
Molecular Weight378.24 g/mol
Exact Mass378.05
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium
SMILESC[C-](C)C.O=C1CCC(NC(=O)c2c[c-]ccn2)C(=O)N1.[Y]
InChIInChI=1S/C11H10N3O3.C4H9.Y/c15-9-5-4-8(11(17)14-9)13-10(16)7-3-1-2-6-12-7;1-4(2)3;/h2-3,6,8H,4-5H2,(H,13,16)(H,14,15,17);1-3H3;/q2*-1;
InChIKeyILZIXWYTOGSWFB-UHFFFAOYSA-N
XLogP1.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide
CID 135173846
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
CID 142390396
(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione;ethane
CID 153330307
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
CID 155031244
N-(2,6-dioxopiperidin-3-yl)-2H-pyridin-2-ide-6-carboxamide;2-methylpropane;yttrium
CID 155787460
N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide
CID 156502092
3-[[(2E,4Z)-6,6-dimethyl-5-(methylideneamino)hepta-2,4-dien-2-yl]amino]piperidine-2,6-dione
CID 156551549
3-[(3-methyl-3H-azepin-6-yl)amino]piperidine-2,6-dione
CID 167091340
3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione
CID 167469906
N-(2,6-dioxopiperidin-3-yl)-4-propan-2-yl-4H-azepine-7-carboxamide
CID 170003320
(4Z)-1-(2,6-dioxopiperidin-3-yl)-3-ethenylimino-4-ethylidenepiperidine-2,6-dione
CID 153330308

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium (CID 155787459) is N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium is C[C-](C)C.O=C1CCC(NC(=O)c2c[c-]ccn2)C(=O)N1.[Y].
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium?
The InChIKey is ILZIXWYTOGSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N3O3.C4H9.Y/c15-9-5-4-8(11(17)14-9)13-10(16)7-3-1-2-6-12-7;1-4(2)3;/h2-3,6,8H,4-5H2,(H,13,16)(H,14,15,17);1-3H3;/q2*-1;.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium?
N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium has a molecular weight of 378.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4H-pyridin-4-ide-2-carboxamide;2-methylpropane;yttrium is sourced from PubChem (CID 155787459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).