N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C20H27Cl2N3O2 — CID 119852182

IUPACN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1cccc(OCc2ccccn2)c1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-15(23-20(24)13-17-8-5-11-21-17)16-6-4-9-19(12-16)25-14-18-7-2-3-10-22-18;;/h2-4,6-7,9-10,12,15,17,21H,5,8,11,13-14H2,1H3,(H,23,24);2*1H
InChIKeyKMYQEWYAKWHGOQ-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.82
Rot. Bonds7

About N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119852182) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119852182
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC NameN-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1cccc(OCc2ccccn2)c1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-15(23-20(24)13-17-8-5-11-21-17)16-6-4-9-19(12-16)25-14-18-7-2-3-10-22-18;;/h2-4,6-7,9-10,12,15,17,21H,5,8,11,13-14H2,1H3,(H,23,24);2*1H
InChIKeyKMYQEWYAKWHGOQ-UHFFFAOYSA-N
XLogP3.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 86970699
1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55902883
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
2-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549389
N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719663
(2S,5R)-5-(aminomethyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798285

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119852182) is N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CC(NC(=O)CC1CCCN1)c1cccc(OCc2ccccn2)c1.Cl.Cl.
What is the InChIKey of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is KMYQEWYAKWHGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-15(23-20(24)13-17-8-5-11-21-17)16-6-4-9-19(12-16)25-14-18-7-2-3-10-22-18;;/h2-4,6-7,9-10,12,15,17,21H,5,8,11,13-14H2,1H3,(H,23,24);2*1H.
What are the key properties of N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119852182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).