3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C19H23Cl2N3O2 — CID 119884835

IUPAC3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H21N3O2.2ClH/c20-18-13-8-7-12(10-13)17(18)19(23)22-14-4-3-5-15(11-14)24-16-6-1-2-9-21-16;;/h1-6,9,11-13,17-18H,7-8,10,20H2,(H,22,23);2*1H
InChIKeyJRLCPRJHHIWVCV-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.03
Rot. Bonds4

About 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119884835) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119884835
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)Nc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C19H21N3O2.2ClH/c20-18-13-8-7-12(10-13)17(18)19(23)22-14-4-3-5-15(11-14)24-16-6-1-2-9-21-16;;/h1-6,9,11-13,17-18H,7-8,10,20H2,(H,22,23);2*1H
InChIKeyJRLCPRJHHIWVCV-UHFFFAOYSA-N
XLogP4.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119872968
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846156
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
(2S,5R)-5-(aminomethyl)-N-(3-pyridin-2-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120800465
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119713684
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707776

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119884835) is 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)Nc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is JRLCPRJHHIWVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.2ClH/c20-18-13-8-7-12(10-13)17(18)19(23)22-14-4-3-5-15(11-14)24-16-6-1-2-9-21-16;;/h1-6,9,11-13,17-18H,7-8,10,20H2,(H,22,23);2*1H.
What are the key properties of 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 396.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119884835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).