N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide

C21H22BrN5O3 — CID 55930639

IUPACN-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C21H22BrN5O3/c22-16-4-5-18(24-13-16)25-19(28)14-6-9-26(10-7-14)20(29)15-2-1-3-17(12-15)27-11-8-23-21(27)30/h1-5,12-14H,6-11H2,(H,23,30)(H,24,25,28)
InChIKeyYPIKATQPVLHXGL-UHFFFAOYSA-N
MW472.34 g/mol
LogP2.86
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 55930639) has the molecular formula C21H22BrN5O3 and a molecular weight of 472.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
PubChem CID55930639
Molecular FormulaC21H22BrN5O3
Molecular Weight472.34 g/mol
Exact Mass471.09
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C21H22BrN5O3/c22-16-4-5-18(24-13-16)25-19(28)14-6-9-26(10-7-14)20(29)15-2-1-3-17(12-15)27-11-8-23-21(27)30/h1-5,12-14H,6-11H2,(H,23,30)(H,24,25,28)
InChIKeyYPIKATQPVLHXGL-UHFFFAOYSA-N
XLogP2.86
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 55717016
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
CID 55930750
N-(5-bromo-2-pyridinyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 55812829
1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
CID 97077495
(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 162636899

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide (CID 55930639) is N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is YPIKATQPVLHXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5O3/c22-16-4-5-18(24-13-16)25-19(28)14-6-9-26(10-7-14)20(29)15-2-1-3-17(12-15)27-11-8-23-21(27)30/h1-5,12-14H,6-11H2,(H,23,30)(H,24,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 472.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55930639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).