(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide

C20H22BrN3O3 — CID 95044642

IUPAC(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1
InChIInChI=1S/C20H22BrN3O3/c1-23(2)19(25)14-6-5-11-24(13-14)20(26)17-9-4-10-22-18(17)27-16-8-3-7-15(21)12-16/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3/t14-/m1/s1
InChIKeyPLXJMMOGCXMZMU-CQSZACIVSA-N
MW432.32 g/mol
LogP3.58
Rot. Bonds4

About (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide

(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 95044642) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID95044642
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1
InChIInChI=1S/C20H22BrN3O3/c1-23(2)19(25)14-6-5-11-24(13-14)20(26)17-9-4-10-22-18(17)27-16-8-3-7-15(21)12-16/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3/t14-/m1/s1
InChIKeyPLXJMMOGCXMZMU-CQSZACIVSA-N
XLogP3.58
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone
CID 119417840
[2-(3-nitrophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 44762994
2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 78883963
[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194295
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
CID 119482701
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
CID 119380458
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 55687326
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 95314140
(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
CID 25374168

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide (CID 95044642) is (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1.
What is the InChIKey of (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is PLXJMMOGCXMZMU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-23(2)19(25)14-6-5-11-24(13-14)20(26)17-9-4-10-22-18(17)27-16-8-3-7-15(21)12-16/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide?
(3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-bromophenoxy)pyridine-3-carbonyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 95044642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).