N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide

C13H18BrN3O2 — CID 102676743

IUPACN-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)C1CCC1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c14-10-4-5-12(15-8-10)16-13(19)9-17(6-7-18)11-2-1-3-11/h4-5,8,11,18H,1-3,6-7,9H2,(H,15,16,19)
InChIKeyPLSFAGHGGKWFAJ-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.63
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide (PubChem CID 102676743) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
PubChem CID102676743
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)C1CCC1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c14-10-4-5-12(15-8-10)16-13(19)9-17(6-7-18)11-2-1-3-11/h4-5,8,11,18H,1-3,6-7,9H2,(H,15,16,19)
InChIKeyPLSFAGHGGKWFAJ-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide (CID 102676743) is N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)C1CCC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is PLSFAGHGGKWFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c14-10-4-5-12(15-8-10)16-13(19)9-17(6-7-18)11-2-1-3-11/h4-5,8,11,18H,1-3,6-7,9H2,(H,15,16,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 328.21 g/mol, XLogP of 1.63, 6 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)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 102676743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).