N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

C12H16BrN3O — CID 105367149

IUPACN-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cnc(NCCNC(=O)C2CC2)c(Br)c1
InChIInChI=1S/C12H16BrN3O/c1-8-6-10(13)11(16-7-8)14-4-5-15-12(17)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyJMOJKSGCYLIGBE-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 105367149) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID105367149
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cnc(NCCNC(=O)C2CC2)c(Br)c1
InChIInChI=1S/C12H16BrN3O/c1-8-6-10(13)11(16-7-8)14-4-5-15-12(17)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyJMOJKSGCYLIGBE-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.09
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-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113481404
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 114835711
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (CID 105367149) is N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is Cc1cnc(NCCNC(=O)C2CC2)c(Br)c1.
What is the InChIKey of N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is JMOJKSGCYLIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-6-10(13)11(16-7-8)14-4-5-15-12(17)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 105367149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).