(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone

C16H16BrN3O2 — CID 119482701

IUPAC(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
SMILESNC1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1
InChIInChI=1S/C16H16BrN3O2/c17-11-3-5-13(6-4-11)22-15-14(2-1-8-19-15)16(21)20-9-7-12(18)10-20/h1-6,8,12H,7,9-10,18H2
InChIKeyIMPCRKADTMWIAI-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.81
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone

(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone (PubChem CID 119482701) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
PubChem CID119482701
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
SMILESNC1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1
InChIInChI=1S/C16H16BrN3O2/c17-11-3-5-13(6-4-11)22-15-14(2-1-8-19-15)16(21)20-9-7-12(18)10-20/h1-6,8,12H,7,9-10,18H2
InChIKeyIMPCRKADTMWIAI-UHFFFAOYSA-N
XLogP2.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 126776764
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide
CID 95044642
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone (CID 119482701) is (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone is NC1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone?
The InChIKey is IMPCRKADTMWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-11-3-5-13(6-4-11)22-15-14(2-1-8-19-15)16(21)20-9-7-12(18)10-20/h1-6,8,12H,7,9-10,18H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone?
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone has a molecular weight of 362.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 119482701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).