N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

C11H13Br2N3O — CID 113481404

IUPACN-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1ncc(Br)cc1Br)C1CC1
InChIInChI=1S/C11H13Br2N3O/c12-8-5-9(13)10(16-6-8)14-3-4-15-11(17)7-1-2-7/h5-7H,1-4H2,(H,14,16)(H,15,17)
InChIKeyAFOCIHMHDJSULO-UHFFFAOYSA-N
MW363.05 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113481404) has the molecular formula C11H13Br2N3O and a molecular weight of 363.05 g/mol. Its IUPAC name is N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113481404
Molecular FormulaC11H13Br2N3O
Molecular Weight363.05 g/mol
Exact Mass360.94
IUPAC NameN-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1ncc(Br)cc1Br)C1CC1
InChIInChI=1S/C11H13Br2N3O/c12-8-5-9(13)10(16-6-8)14-3-4-15-11(17)7-1-2-7/h5-7H,1-4H2,(H,14,16)(H,15,17)
InChIKeyAFOCIHMHDJSULO-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
N-[2-[[5-bromo-3-[(6-methoxynaphthalen-2-yl)methyl-methylsulfamoyl]-2-pyridinyl]amino]ethyl]cyclobutanecarboxamide
CID 167766327
N-[2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112268
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481443
N-[2-[[3-chloro-5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]amino]ethyl]cyclohexanecarboxamide
CID 24988994
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 113413746
N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
CID 115569585
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (CID 113481404) is N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1ncc(Br)cc1Br)C1CC1.
What is the InChIKey of N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is AFOCIHMHDJSULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O/c12-8-5-9(13)10(16-6-8)14-3-4-15-11(17)7-1-2-7/h5-7H,1-4H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 363.05 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).