6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide

C15H16N4O3 — CID 171808981

IUPAC6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(C#CCN)n1)C1CCC(=O)NC1=O
InChIInChI=1S/C15H16N4O3/c1-19(12-7-8-13(20)18-14(12)21)15(22)11-6-2-4-10(17-11)5-3-9-16/h2,4,6,12H,7-9,16H2,1H3,(H,18,20,21)
InChIKeyVFSJTLNDVHWCLP-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.73
Rot. Bonds2

About 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide

6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide (PubChem CID 171808981) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide
PubChem CID171808981
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(C#CCN)n1)C1CCC(=O)NC1=O
InChIInChI=1S/C15H16N4O3/c1-19(12-7-8-13(20)18-14(12)21)15(22)11-6-2-4-10(17-11)5-3-9-16/h2,4,6,12H,7-9,16H2,1H3,(H,18,20,21)
InChIKeyVFSJTLNDVHWCLP-UHFFFAOYSA-N
XLogP-0.73
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide (CID 171808981) is 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1cccc(C#CCN)n1)C1CCC(=O)NC1=O.
What is the InChIKey of 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is VFSJTLNDVHWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-19(12-7-8-13(20)18-14(12)21)15(22)11-6-2-4-10(17-11)5-3-9-16/h2,4,6,12H,7-9,16H2,1H3,(H,18,20,21).
What are the key properties of 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide?
6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171808981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).