2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide

C13H19BrN4O — CID 66214675

IUPAC2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cn1)C1CNC1
InChIInChI=1S/C13H19BrN4O/c1-2-5-18(11-7-15-8-11)9-13(19)17-12-4-3-10(14)6-16-12/h3-4,6,11,15H,2,5,7-9H2,1H3,(H,16,17,19)
InChIKeyLOQGNTQIRIXLLQ-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.47
Rot. Bonds6

About 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide

2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 66214675) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID66214675
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cn1)C1CNC1
InChIInChI=1S/C13H19BrN4O/c1-2-5-18(11-7-15-8-11)9-13(19)17-12-4-3-10(14)6-16-12/h3-4,6,11,15H,2,5,7-9H2,1H3,(H,16,17,19)
InChIKeyLOQGNTQIRIXLLQ-UHFFFAOYSA-N
XLogP1.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510517
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide
CID 66213695
N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102676743
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 46665804
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 119875021
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66216307
N-[2-[azetidin-3-yl(propyl)amino]acetyl]-2-phenylacetamide
CID 66216125

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide (CID 66214675) is 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide is CCCN(CC(=O)Nc1ccc(Br)cn1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is LOQGNTQIRIXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-2-5-18(11-7-15-8-11)9-13(19)17-12-4-3-10(14)6-16-12/h3-4,6,11,15H,2,5,7-9H2,1H3,(H,16,17,19).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 327.23 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 66214675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).