2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide

C21H24N2O5 — CID 100779297

IUPAC2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)cn1
InChIInChI=1S/C21H24N2O5/c1-4-11-26-18-10-7-16(12-22-18)23-20(24)21(2)13-27-19(28-14-21)15-5-8-17(25-3)9-6-15/h4-10,12,19H,1,11,13-14H2,2-3H3,(H,23,24)
InChIKeyLATVDXZJOKITIO-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.35
Rot. Bonds7

About 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide

2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide (PubChem CID 100779297) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
PubChem CID100779297
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)cn1
InChIInChI=1S/C21H24N2O5/c1-4-11-26-18-10-7-16(12-22-18)23-20(24)21(2)13-27-19(28-14-21)15-5-8-17(25-3)9-6-15/h4-10,12,19H,1,11,13-14H2,2-3H3,(H,23,24)
InChIKeyLATVDXZJOKITIO-UHFFFAOYSA-N
XLogP3.35
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779634
5-methyl-2-phenyl-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dioxane-5-carboxamide
CID 100779046
1-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782418
2-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1,3-dioxane-5-carboxamide
CID 100784165
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153
2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779087
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779916
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100770358
2-(4-chlorophenyl)-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dihydroindene-2-carboxamide
CID 100781552

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide (CID 100779297) is 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide is C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)cn1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
The InChIKey is LATVDXZJOKITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-11-26-18-10-7-16(12-22-18)23-20(24)21(2)13-27-19(28-14-21)15-5-8-17(25-3)9-6-15/h4-10,12,19H,1,11,13-14H2,2-3H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide?
2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).