N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide

C20H23BrN2O2 — CID 1450121

IUPACN-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C20H23BrN2O2/c21-17-9-4-3-8-16(17)14-23-13-5-10-18(20(23)25)22-19(24)12-11-15-6-1-2-7-15/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,24)
InChIKeyWUSMXJRRCYLRND-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.57
Rot. Bonds6

About N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide

N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide (PubChem CID 1450121) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide
PubChem CID1450121
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C20H23BrN2O2/c21-17-9-4-3-8-16(17)14-23-13-5-10-18(20(23)25)22-19(24)12-11-15-6-1-2-7-15/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,24)
InChIKeyWUSMXJRRCYLRND-UHFFFAOYSA-N
XLogP4.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide (CID 1450121) is N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nc1cccn(Cc2ccccc2Br)c1=O.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide?
The InChIKey is WUSMXJRRCYLRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c21-17-9-4-3-8-16(17)14-23-13-5-10-18(20(23)25)22-19(24)12-11-15-6-1-2-7-15/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,24).
What are the key properties of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide?
N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide has a molecular weight of 403.32 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 1450121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).