2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine

C12H17BrN4O — CID 122096951

IUPAC2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCn1cc(Br)ccc1=O)C1CC1
InChIInChI=1S/C12H17BrN4O/c1-16(10-3-4-10)12(14)15-6-7-17-8-9(13)2-5-11(17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyFFMPYCVDOSZBAN-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.02
Rot. Bonds4

About 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine

2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 122096951) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine
PubChem CID122096951
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCn1cc(Br)ccc1=O)C1CC1
InChIInChI=1S/C12H17BrN4O/c1-16(10-3-4-10)12(14)15-6-7-17-8-9(13)2-5-11(17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyFFMPYCVDOSZBAN-UHFFFAOYSA-N
XLogP1.02
TPSA63.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-propan-2-ylguanidine
CID 122096974
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 110031501
1-cyclopropyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-methylguanidine;hydroiodide
CID 110030520
5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 61439168
3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide
CID 82151145
5-bromo-1-[2-(cyclopentylmethylamino)ethyl]pyridin-2-one
CID 62563342
1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 110030426
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 55140850
2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
CID 110029560
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-cyclopropylamino]propanoic acid
CID 119203160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine (CID 122096951) is 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CCn1cc(Br)ccc1=O)C1CC1.
What is the InChIKey of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is FFMPYCVDOSZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-16(10-3-4-10)12(14)15-6-7-17-8-9(13)2-5-11(17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine?
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 313.20 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 122096951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).