N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide

C13H15N3O3 — CID 138466898

IUPACN-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C13H15N3O3/c1-8-3-4-9(7-14-8)13(19)16(2)10-5-6-11(17)15-12(10)18/h3-4,7,10H,5-6H2,1-2H3,(H,15,17,18)
InChIKeyIVCJLJZEOVKONK-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.27
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 138466898) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide
PubChem CID138466898
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C13H15N3O3/c1-8-3-4-9(7-14-8)13(19)16(2)10-5-6-11(17)15-12(10)18/h3-4,7,10H,5-6H2,1-2H3,(H,15,17,18)
InChIKeyIVCJLJZEOVKONK-UHFFFAOYSA-N
XLogP0.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide (CID 138466898) is N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C2CCC(=O)NC2=O)cn1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is IVCJLJZEOVKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-3-4-9(7-14-8)13(19)16(2)10-5-6-11(17)15-12(10)18/h3-4,7,10H,5-6H2,1-2H3,(H,15,17,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 138466898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).