N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C21H24N2O4 — CID 131890504

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(CCN(Cc2cccnc2)C(=O)C2=C(C)OCCO2)cc1
InChIInChI=1S/C21H24N2O4/c1-16-20(27-13-12-26-16)21(24)23(15-18-4-3-10-22-14-18)11-9-17-5-7-19(25-2)8-6-17/h3-8,10,14H,9,11-13,15H2,1-2H3
InChIKeyOAAWKIBYPQYSOO-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 131890504) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID131890504
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOc1ccc(CCN(Cc2cccnc2)C(=O)C2=C(C)OCCO2)cc1
InChIInChI=1S/C21H24N2O4/c1-16-20(27-13-12-26-16)21(24)23(15-18-4-3-10-22-14-18)11-9-17-5-7-19(25-2)8-6-17/h3-8,10,14H,9,11-13,15H2,1-2H3
InChIKeyOAAWKIBYPQYSOO-UHFFFAOYSA-N
XLogP2.94
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
6-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131903028
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 86824224
N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23963547
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23904943
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110360634
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 131890504) is N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is COc1ccc(CCN(Cc2cccnc2)C(=O)C2=C(C)OCCO2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is OAAWKIBYPQYSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-20(27-13-12-26-16)21(24)23(15-18-4-3-10-22-14-18)11-9-17-5-7-19(25-2)8-6-17/h3-8,10,14H,9,11-13,15H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 131890504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).