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

C14H20N2O4 — CID 100779083

IUPACN-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1
InChIInChI=1S/C14H20N2O4/c1-13(2)19-8-14(3,9-20-13)12(17)16-10-5-6-11(18-4)15-7-10/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyGQWSRSNDOJXHGH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.82
Rot. Bonds3

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

N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide (PubChem CID 100779083) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
PubChem CID100779083
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1
InChIInChI=1S/C14H20N2O4/c1-13(2)19-8-14(3,9-20-13)12(17)16-10-5-6-11(18-4)15-7-10/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyGQWSRSNDOJXHGH-UHFFFAOYSA-N
XLogP1.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-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

2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779087
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide
CID 57158284
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153
2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779297
N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100784086
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide (CID 100779083) is N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide is COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
The InChIKey is GQWSRSNDOJXHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-13(2)19-8-14(3,9-20-13)12(17)16-10-5-6-11(18-4)15-7-10/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.82, 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)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).