(2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate

C20H19N3O5 — CID 146089675

IUPAC(2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate
SMILESO=C1CCC(OC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)C(=O)N1
InChIInChI=1S/C20H19N3O5/c24-17-9-8-16(19(26)23-17)28-20(27)15(11-13-5-2-1-3-6-13)22-18(25)14-7-4-10-21-12-14/h1-7,10,12,15-16H,8-9,11H2,(H,22,25)(H,23,24,26)
InChIKeyDDCYXONOMAIBFF-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.77
Rot. Bonds6

About (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate

(2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate (PubChem CID 146089675) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate.

Molecular Properties

Compound Name(2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate
PubChem CID146089675
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate
SMILESO=C1CCC(OC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)C(=O)N1
InChIInChI=1S/C20H19N3O5/c24-17-9-8-16(19(26)23-17)28-20(27)15(11-13-5-2-1-3-6-13)22-18(25)14-7-4-10-21-12-14/h1-7,10,12,15-16H,8-9,11H2,(H,22,25)(H,23,24,26)
InChIKeyDDCYXONOMAIBFF-UHFFFAOYSA-N
XLogP0.77
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 119483544
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119626077
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 120555687
N-[(2S)-1-[[4-(tert-butylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 138469943
(2,5-dioxopyrrolidin-3-yl) (2S)-2-amino-3-phenylpropanoate
CID 67794422
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 45370048

Frequently Asked Questions

What is the IUPAC name of (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate?
The IUPAC name of (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate (CID 146089675) is (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate.
What is the SMILES notation for (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate?
The canonical SMILES for (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate is O=C1CCC(OC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)C(=O)N1.
What is the InChIKey of (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate?
The InChIKey is DDCYXONOMAIBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-17-9-8-16(19(26)23-17)28-20(27)15(11-13-5-2-1-3-6-13)22-18(25)14-7-4-10-21-12-14/h1-7,10,12,15-16H,8-9,11H2,(H,22,25)(H,23,24,26).
What are the key properties of (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate?
(2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate has a molecular weight of 381.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxopiperidin-3-yl) 3-phenyl-2-(pyridine-3-carbonylamino)propanoate is sourced from PubChem (CID 146089675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).