[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium

C19H22N3O4+ — CID 58591180

IUPAC[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
SMILES[NH3+]C1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H21N3O4/c20-12-3-5-13(6-4-12)22-18(23)15-2-1-9-21-19(15)26-14-7-8-16-17(10-14)25-11-24-16/h1-2,7-10,12-13H,3-6,11,20H2,(H,22,23)/p+1
InChIKeyTULILUQXLYTCLI-UHFFFAOYSA-O
MW356.40 g/mol
LogP1.89
Rot. Bonds4

About [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium

[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium (PubChem CID 58591180) has the molecular formula C19H22N3O4+ and a molecular weight of 356.40 g/mol. Its IUPAC name is [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
PubChem CID58591180
Molecular FormulaC19H22N3O4+
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
SMILES[NH3+]C1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H21N3O4/c20-12-3-5-13(6-4-12)22-18(23)15-2-1-9-21-19(15)26-14-7-8-16-17(10-14)25-11-24-16/h1-2,7-10,12-13H,3-6,11,20H2,(H,22,23)/p+1
InChIKeyTULILUQXLYTCLI-UHFFFAOYSA-O
XLogP1.89
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium with MolForge

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Related Compounds

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
[4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591188
2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]oxyacetic acid
CID 10180963
tert-butyl N-[4-[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]iminocyclohexyl]carbamate
CID 163548560
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
CID 114055648
2-[[8-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-6-bicyclo[3.2.2]nonanyl]oxy]acetic acid
CID 142157930
2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylpropanoic acid
CID 22610171

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium?
The IUPAC name of [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium (CID 58591180) is [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium.
What is the SMILES notation for [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium?
The canonical SMILES for [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium is [NH3+]C1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium?
The InChIKey is TULILUQXLYTCLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O4/c20-12-3-5-13(6-4-12)22-18(23)15-2-1-9-21-19(15)26-14-7-8-16-17(10-14)25-11-24-16/h1-2,7-10,12-13H,3-6,11,20H2,(H,22,23)/p+1.
What are the key properties of [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium?
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium has a molecular weight of 356.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium is sourced from PubChem (CID 58591180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).