[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride

C17H21Cl2N3O2 — CID 119410481

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)c2cccc(OCc3cccnc3)c2)C1
InChIInChI=1S/C17H19N3O2.2ClH/c18-15-6-8-20(11-15)17(21)14-4-1-5-16(9-14)22-12-13-3-2-7-19-10-13;;/h1-5,7,9-10,15H,6,8,11-12,18H2;2*1H/t15-;;/m1../s1
InChIKeyBCJBYLMCJASKTC-QCUBGVIVSA-N
MW370.28 g/mol
LogP2.68
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride (PubChem CID 119410481) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
PubChem CID119410481
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(C(=O)c2cccc(OCc3cccnc3)c2)C1
InChIInChI=1S/C17H19N3O2.2ClH/c18-15-6-8-20(11-15)17(21)14-4-1-5-16(9-14)22-12-13-3-2-7-19-10-13;;/h1-5,7,9-10,15H,6,8,11-12,18H2;2*1H/t15-;;/m1../s1
InChIKeyBCJBYLMCJASKTC-QCUBGVIVSA-N
XLogP2.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124691848
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
(3-aminopyrrolidin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone;dihydrochloride
CID 119482802
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride (CID 119410481) is [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride is Cl.Cl.N[C@@H]1CCN(C(=O)c2cccc(OCc3cccnc3)c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride?
The InChIKey is BCJBYLMCJASKTC-QCUBGVIVSA-N. The full InChI is InChI=1S/C17H19N3O2.2ClH/c18-15-6-8-20(11-15)17(21)14-4-1-5-16(9-14)22-12-13-3-2-7-19-10-13;;/h1-5,7,9-10,15H,6,8,11-12,18H2;2*1H/t15-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119410481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).