N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide

C11H11N3O3 — CID 62805806

IUPACN-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2COCCO2)nc1
InChIInChI=1S/C11H11N3O3/c12-5-8-1-2-10(13-6-8)14-11(15)9-7-16-3-4-17-9/h1-2,6,9H,3-4,7H2,(H,13,14,15)
InChIKeyRXCDMOPZBWQLHZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.31
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide

N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide (PubChem CID 62805806) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide
PubChem CID62805806
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2COCCO2)nc1
InChIInChI=1S/C11H11N3O3/c12-5-8-1-2-10(13-6-8)14-11(15)9-7-16-3-4-17-9/h1-2,6,9H,3-4,7H2,(H,13,14,15)
InChIKeyRXCDMOPZBWQLHZ-UHFFFAOYSA-N
XLogP0.31
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
CID 114105635
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113022851
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
N-(5-cyano-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 56826266
N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
CID 104820872
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
(2S,3S)-N-(5-cyano-2-pyridinyl)-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129003975
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide (CID 62805806) is N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide is N#Cc1ccc(NC(=O)C2COCCO2)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide?
The InChIKey is RXCDMOPZBWQLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-5-8-1-2-10(13-6-8)14-11(15)9-7-16-3-4-17-9/h1-2,6,9H,3-4,7H2,(H,13,14,15).
What are the key properties of N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide?
N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 62805806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).