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

C16H17BrN2O2 — CID 644937

IUPACN-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C16H17BrN2O2/c1-2-6-15(20)18-14-9-5-10-19(16(14)21)11-12-7-3-4-8-13(12)17/h3-5,7-10H,2,6,11H2,1H3,(H,18,20)
InChIKeyBPFUGBZZHVRKKK-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.40
Rot. Bonds5

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

N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide (PubChem CID 644937) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
PubChem CID644937
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C16H17BrN2O2/c1-2-6-15(20)18-14-9-5-10-19(16(14)21)11-12-7-3-4-8-13(12)17/h3-5,7-10H,2,6,11H2,1H3,(H,18,20)
InChIKeyBPFUGBZZHVRKKK-UHFFFAOYSA-N
XLogP3.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.40
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]butanamide?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide (CID 644937) is N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide is CCCC(=O)Nc1cccn(Cc2ccccc2Br)c1=O.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The InChIKey is BPFUGBZZHVRKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-6-15(20)18-14-9-5-10-19(16(14)21)11-12-7-3-4-8-13(12)17/h3-5,7-10H,2,6,11H2,1H3,(H,18,20).
What are the key properties of N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide has a molecular weight of 349.23 g/mol, XLogP of 3.40, 5 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]butanamide is sourced from PubChem (CID 644937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).