N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide

C11H14N2O4 — CID 47178164

IUPACN-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2COCCO2)cn1
InChIInChI=1S/C11H14N2O4/c1-15-10-3-2-8(6-12-10)13-11(14)9-7-16-4-5-17-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyRZVTUTSBUWYNNW-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.44
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide

N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide (PubChem CID 47178164) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
PubChem CID47178164
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2COCCO2)cn1
InChIInChI=1S/C11H14N2O4/c1-15-10-3-2-8(6-12-10)13-11(14)9-7-16-4-5-17-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyRZVTUTSBUWYNNW-UHFFFAOYSA-N
XLogP0.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
CID 76949528
N-(3-amino-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 55110602
methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
CID 47291922
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
N-(3-chloro-4-hydroxyphenyl)-1,4-dioxane-2-carboxamide
CID 64788498
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide (CID 47178164) is N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide is COc1ccc(NC(=O)C2COCCO2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide?
The InChIKey is RZVTUTSBUWYNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-15-10-3-2-8(6-12-10)13-11(14)9-7-16-4-5-17-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide has a molecular weight of 238.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 47178164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).