N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride

C19H22ClN3O4 — CID 22058434

IUPACN-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H21N3O4.ClH/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);1H
InChIKeyUDFKSEGSGUPZPJ-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.02
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride (PubChem CID 22058434) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
PubChem CID22058434
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC NameN-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H21N3O4.ClH/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);1H
InChIKeyUDFKSEGSGUPZPJ-UHFFFAOYSA-N
XLogP3.02
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
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
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
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-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
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-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
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 N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride (CID 22058434) is N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride?
The InChIKey is UDFKSEGSGUPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4.ClH/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);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride has a molecular weight of 391.86 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 22058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).