2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid

C25H28N2O7 — CID 142157930

IUPAC2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid
SMILESO=C(O)COC1CC2CCCC1CC2CNC(=O)c1cccnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C25H28N2O7/c28-23(29)13-31-21-10-15-3-1-4-16(21)9-17(15)12-27-24(30)19-5-2-8-26-25(19)34-18-6-7-20-22(11-18)33-14-32-20/h2,5-8,11,15-17,21H,1,3-4,9-10,12-14H2,(H,27,30)(H,28,29)
InChIKeyRZKWIGIYFYHADK-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.63
Rot. Bonds8

About 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid

2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid (PubChem CID 142157930) has the molecular formula C25H28N2O7 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid
PubChem CID142157930
Molecular FormulaC25H28N2O7
Molecular Weight468.51 g/mol
Exact Mass468.19
IUPAC Name2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid
SMILESO=C(O)COC1CC2CCCC1CC2CNC(=O)c1cccnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C25H28N2O7/c28-23(29)13-31-21-10-15-3-1-4-16(21)9-17(15)12-27-24(30)19-5-2-8-26-25(19)34-18-6-7-20-22(11-18)33-14-32-20/h2,5-8,11,15-17,21H,1,3-4,9-10,12-14H2,(H,27,30)(H,28,29)
InChIKeyRZKWIGIYFYHADK-UHFFFAOYSA-N
XLogP3.63
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]oxyacetic acid
CID 10180963
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
CID 22058434
tert-butyl N-[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 20872670
1-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10114810
2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylpropanoic acid
CID 22610171
methyl 3-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]phenyl]benzoate
CID 20601404
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
CID 114055648
tert-butyl N-[4-[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]iminocyclohexyl]carbamate
CID 163548560
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid?
The IUPAC name of 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid (CID 142157930) is 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid.
What is the SMILES notation for 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid?
The canonical SMILES for 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid is O=C(O)COC1CC2CCCC1CC2CNC(=O)c1cccnc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid?
The InChIKey is RZKWIGIYFYHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O7/c28-23(29)13-31-21-10-15-3-1-4-16(21)9-17(15)12-27-24(30)19-5-2-8-26-25(19)34-18-6-7-20-22(11-18)33-14-32-20/h2,5-8,11,15-17,21H,1,3-4,9-10,12-14H2,(H,27,30)(H,28,29).
What are the key properties of 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid?
2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid has a molecular weight of 468.51 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid is sourced from PubChem (CID 142157930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).