dioxane;pyridine-2-carboxamide

C10H14N2O3 — CID 174962613

IUPACdioxane;pyridine-2-carboxamide
SMILESC1CCOOC1.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C4H8O2/c7-6(9)5-3-1-2-4-8-5;1-2-4-6-5-3-1/h1-4H,(H2,7,9);1-4H2
InChIKeyMDANBZIQRZFOSL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.91
Rot. Bonds1

About dioxane;pyridine-2-carboxamide

dioxane;pyridine-2-carboxamide (PubChem CID 174962613) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is dioxane;pyridine-2-carboxamide.

Molecular Properties

Compound Namedioxane;pyridine-2-carboxamide
PubChem CID174962613
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namedioxane;pyridine-2-carboxamide
SMILESC1CCOOC1.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C4H8O2/c7-6(9)5-3-1-2-4-8-5;1-2-4-6-5-3-1/h1-4H,(H2,7,9);1-4H2
InChIKeyMDANBZIQRZFOSL-UHFFFAOYSA-N
XLogP0.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt;4,5-dihydro-1,3-oxazole;pyridine-2-carboxamide
CID 174947203
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
acetyl bromide;pyridine-2-carboxamide
CID 175817538
benzoic acid;pyridine-2-carboxamide
CID 67821051
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
pyridine-2-carboxamide;thiophen-2-amine
CID 69368078
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136
tert-butyl carbamate;pyridine-2-carboxamide
CID 175209186
1-methylpyrrol-2-amine;pyridine-2-carboxamide
CID 174903535
gadolinium;pyridine-2-carboxylic acid
CID 175231422
anthracene-1-carboxamide;pyridine-2-carboxamide
CID 87214967

Frequently Asked Questions

What is the IUPAC name of dioxane;pyridine-2-carboxamide?
The IUPAC name of dioxane;pyridine-2-carboxamide (CID 174962613) is dioxane;pyridine-2-carboxamide.
What is the SMILES notation for dioxane;pyridine-2-carboxamide?
The canonical SMILES for dioxane;pyridine-2-carboxamide is C1CCOOC1.NC(=O)c1ccccn1.
What is the InChIKey of dioxane;pyridine-2-carboxamide?
The InChIKey is MDANBZIQRZFOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C4H8O2/c7-6(9)5-3-1-2-4-8-5;1-2-4-6-5-3-1/h1-4H,(H2,7,9);1-4H2.
What are the key properties of dioxane;pyridine-2-carboxamide?
dioxane;pyridine-2-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxane;pyridine-2-carboxamide is sourced from PubChem (CID 174962613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).