2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide

C16H24N2O4 — CID 100779087

IUPAC2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1
InChIInChI=1S/C16H24N2O4/c1-11(2)22-13-7-6-12(8-17-13)18-14(19)16(5)9-20-15(3,4)21-10-16/h6-8,11H,9-10H2,1-5H3,(H,18,19)
InChIKeyWSFXJYNFLBEJRP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.60
Rot. Bonds4

About 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide

2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide (PubChem CID 100779087) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
PubChem CID100779087
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1
InChIInChI=1S/C16H24N2O4/c1-11(2)22-13-7-6-12(8-17-13)18-14(19)16(5)9-20-15(3,4)21-10-16/h6-8,11H,9-10H2,1-5H3,(H,18,19)
InChIKeyWSFXJYNFLBEJRP-UHFFFAOYSA-N
XLogP2.60
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315
8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779192
1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100782943
(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
CID 96548422
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
CID 75461759
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
N-(1-cyclopropylethyl)-6-propan-2-yloxypyridin-3-amine
CID 115922171
2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779297
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100784086

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
The IUPAC name of 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide (CID 100779087) is 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide is CC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1.
What is the InChIKey of 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
The InChIKey is WSFXJYNFLBEJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)22-13-7-6-12(8-17-13)18-14(19)16(5)9-20-15(3,4)21-10-16/h6-8,11H,9-10H2,1-5H3,(H,18,19).
What are the key properties of 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).