N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride

C19H23Cl2N3O2 — CID 119457932

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C19H21N3O2.2ClH/c23-19(22-15-10-13-6-7-14(11-15)21-13)18-12-17(8-9-20-18)24-16-4-2-1-3-5-16;;/h1-5,8-9,12-15,21H,6-7,10-11H2,(H,22,23);2*1H
InChIKeyDYXHZEZJXVGGKJ-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.73
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride (PubChem CID 119457932) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride
PubChem CID119457932
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C19H21N3O2.2ClH/c23-19(22-15-10-13-6-7-14(11-15)21-13)18-12-17(8-9-20-18)24-16-4-2-1-3-5-16;;/h1-5,8-9,12-15,21H,6-7,10-11H2,(H,22,23);2*1H
InChIKeyDYXHZEZJXVGGKJ-UHFFFAOYSA-N
XLogP3.73
TPSA63.25 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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677474
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenoxy-2-phenylacetamide;hydrochloride
CID 119457115
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide
CID 175423540
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119455960
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119456444
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119456298
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride (CID 119457932) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The InChIKey is DYXHZEZJXVGGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.2ClH/c23-19(22-15-10-13-6-7-14(11-15)21-13)18-12-17(8-9-20-18)24-16-4-2-1-3-5-16;;/h1-5,8-9,12-15,21H,6-7,10-11H2,(H,22,23);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride has a molecular weight of 396.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119457932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).