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

C18H23Cl2N3O2 — CID 119846187

IUPACN-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C18H21N3O2.2ClH/c22-18(11-15-6-3-9-20-15)21-16-5-1-7-17(10-16)23-13-14-4-2-8-19-12-14;;/h1-2,4-5,7-8,10,12,15,20H,3,6,9,11,13H2,(H,21,22);2*1H
InChIKeyMZHZPGHQOPZIIZ-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.58
Rot. Bonds6

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

N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119846187) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119846187
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC NameN-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C18H21N3O2.2ClH/c22-18(11-15-6-3-9-20-15)21-16-5-1-7-17(10-16)23-13-14-4-2-8-19-12-14;;/h1-2,4-5,7-8,10,12,15,20H,3,6,9,11,13H2,(H,21,22);2*1H
InChIKeyMZHZPGHQOPZIIZ-UHFFFAOYSA-N
XLogP3.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713879
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119723072
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119846187) is N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)Nc1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is MZHZPGHQOPZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.2ClH/c22-18(11-15-6-3-9-20-15)21-16-5-1-7-17(10-16)23-13-14-4-2-8-19-12-14;;/h1-2,4-5,7-8,10,12,15,20H,3,6,9,11,13H2,(H,21,22);2*1H.
What are the key properties of N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 384.31 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119846187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).