3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride

C19H25Cl2N3O3 — CID 119450928

IUPAC3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCCOc1cc(C(=O)NC2CCNC2)ccc1OCc1cccnc1.Cl.Cl
InChIInChI=1S/C19H23N3O3.2ClH/c1-2-24-18-10-15(19(23)22-16-7-9-21-12-16)5-6-17(18)25-13-14-4-3-8-20-11-14;;/h3-6,8,10-11,16,21H,2,7,9,12-13H2,1H3,(H,22,23);2*1H
InChIKeyXHLZJELPUIPLGZ-UHFFFAOYSA-N
MW414.33 g/mol
LogP2.99
Rot. Bonds7

About 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride

3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 119450928) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID119450928
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Name3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCCOc1cc(C(=O)NC2CCNC2)ccc1OCc1cccnc1.Cl.Cl
InChIInChI=1S/C19H23N3O3.2ClH/c1-2-24-18-10-15(19(23)22-16-7-9-21-12-16)5-6-17(18)25-13-14-4-3-8-20-11-14;;/h3-6,8,10-11,16,21H,2,7,9,12-13H2,1H3,(H,22,23);2*1H
InChIKeyXHLZJELPUIPLGZ-UHFFFAOYSA-N
XLogP2.99
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 119556374
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 119450928) is 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride is CCOc1cc(C(=O)NC2CCNC2)ccc1OCc1cccnc1.Cl.Cl.
What is the InChIKey of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is XHLZJELPUIPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.2ClH/c1-2-24-18-10-15(19(23)22-16-7-9-21-12-16)5-6-17(18)25-13-14-4-3-8-20-11-14;;/h3-6,8,10-11,16,21H,2,7,9,12-13H2,1H3,(H,22,23);2*1H.
What are the key properties of 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 414.33 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119450928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).