N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride

C20H25Cl2N3O2 — CID 119456444

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H23N3O2.2ClH/c24-20(23-18-10-16-6-7-17(11-18)22-16)15-4-1-5-19(9-15)25-13-14-3-2-8-21-12-14;;/h1-5,8-9,12,16-18,22H,6-7,10-11,13H2,(H,23,24);2*1H
InChIKeyXJFHYSNNHOQPRO-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.52
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119456444) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
PubChem CID119456444
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H23N3O2.2ClH/c24-20(23-18-10-16-6-7-17(11-18)22-16)15-4-1-5-19(9-15)25-13-14-3-2-8-21-12-14;;/h1-5,8-9,12,16-18,22H,6-7,10-11,13H2,(H,23,24);2*1H
InChIKeyXJFHYSNNHOQPRO-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119457516
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride (CID 119456444) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is XJFHYSNNHOQPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.2ClH/c24-20(23-18-10-16-6-7-17(11-18)22-16)15-4-1-5-19(9-15)25-13-14-3-2-8-21-12-14;;/h1-5,8-9,12,16-18,22H,6-7,10-11,13H2,(H,23,24);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.52, 5 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)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119456444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).