N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide

C13H19N3O3 — CID 146091041

IUPACN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(C)c1ncccc1N(C)C(=O)C1COCCO1
InChIInChI=1S/C13H19N3O3/c1-15(2)12-10(5-4-6-14-12)16(3)13(17)11-9-18-7-8-19-11/h4-6,11H,7-9H2,1-3H3
InChIKeyBYQGNAZEPGRIQU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.53
Rot. Bonds3

About N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide (PubChem CID 146091041) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide
PubChem CID146091041
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(C)c1ncccc1N(C)C(=O)C1COCCO1
InChIInChI=1S/C13H19N3O3/c1-15(2)12-10(5-4-6-14-12)16(3)13(17)11-9-18-7-8-19-11/h4-6,11H,7-9H2,1-3H3
InChIKeyBYQGNAZEPGRIQU-UHFFFAOYSA-N
XLogP0.53
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide (CID 146091041) is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide is CN(C)c1ncccc1N(C)C(=O)C1COCCO1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide?
The InChIKey is BYQGNAZEPGRIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(2)12-10(5-4-6-14-12)16(3)13(17)11-9-18-7-8-19-11/h4-6,11H,7-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 146091041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).