3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide

C25H25N3O5 — CID 42246054

IUPAC3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NCc2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C25H25N3O5/c1-26-24(30)19-14-28(11-5-8-17-6-3-2-4-7-17)15-20(23(19)29)25(31)27-13-18-9-10-21-22(12-18)33-16-32-21/h2-4,6-7,9-10,12,14-15H,5,8,11,13,16H2,1H3,(H,26,30)(H,27,31)
InChIKeyMMVMGHJKYLWNCI-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.50
Rot. Bonds8

About 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide

3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 42246054) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
PubChem CID42246054
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NCc2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C25H25N3O5/c1-26-24(30)19-14-28(11-5-8-17-6-3-2-4-7-17)15-20(23(19)29)25(31)27-13-18-9-10-21-22(12-18)33-16-32-21/h2-4,6-7,9-10,12,14-15H,5,8,11,13,16H2,1H3,(H,26,30)(H,27,31)
InChIKeyMMVMGHJKYLWNCI-UHFFFAOYSA-N
XLogP2.50
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylpropylamino)acetamide
CID 108998826
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109120437
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)acetamide
CID 108998701
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440575
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
CID 119099694
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-2-(hydroxymethyl)benzene-1,4-dicarboxamide
CID 101221566
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide (CID 42246054) is 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide is CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)NCc2ccc3c(c2)OCO3)c1=O.
What is the InChIKey of 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is MMVMGHJKYLWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-26-24(30)19-14-28(11-5-8-17-6-3-2-4-7-17)15-20(23(19)29)25(31)27-13-18-9-10-21-22(12-18)33-16-32-21/h2-4,6-7,9-10,12,14-15H,5,8,11,13,16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 447.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42246054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).