3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide

C20H21BrN4O2 — CID 53187744

IUPAC3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCC3)C2=O)nc1)c1cccc(Br)c1
InChIInChI=1S/C20H21BrN4O2/c21-15-5-3-4-14(12-15)19(26)23-16-8-9-18(22-13-16)25-11-10-24(20(25)27)17-6-1-2-7-17/h3-5,8-9,12-13,17H,1-2,6-7,10-11H2,(H,23,26)
InChIKeyQCDKYOPKXUSLAV-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.28
Rot. Bonds4

About 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide

3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide (PubChem CID 53187744) has the molecular formula C20H21BrN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide
PubChem CID53187744
Molecular FormulaC20H21BrN4O2
Molecular Weight429.32 g/mol
Exact Mass428.08
IUPAC Name3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCC3)C2=O)nc1)c1cccc(Br)c1
InChIInChI=1S/C20H21BrN4O2/c21-15-5-3-4-14(12-15)19(26)23-16-8-9-18(22-13-16)25-11-10-24(20(25)27)17-6-1-2-7-17/h3-5,8-9,12-13,17H,1-2,6-7,10-11H2,(H,23,26)
InChIKeyQCDKYOPKXUSLAV-UHFFFAOYSA-N
XLogP4.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylbenzamide
CID 53187620
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 53187724
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]furan-3-carboxamide
CID 53187607
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 53187755
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53187638
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 53187627
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]pentanamide
CID 53187776
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 53187779
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187688
N-[[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023317
3-methoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187472
N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
CID 68567840

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide (CID 53187744) is 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(C3CCCC3)C2=O)nc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is QCDKYOPKXUSLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2/c21-15-5-3-4-14(12-15)19(26)23-16-8-9-18(22-13-16)25-11-10-24(20(25)27)17-6-1-2-7-17/h3-5,8-9,12-13,17H,1-2,6-7,10-11H2,(H,23,26).
What are the key properties of 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide?
3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 429.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 53187744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).