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

C9H12BrN3O2 — CID 105367093

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
SMILESCc1cnc(NCCOC(N)=O)c(Br)c1
InChIInChI=1S/C9H12BrN3O2/c1-6-4-7(10)8(13-5-6)12-2-3-15-9(11)14/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyYYKGSLRQIYBORG-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.66
Rot. Bonds4

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

2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate (PubChem CID 105367093) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
PubChem CID105367093
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
SMILESCc1cnc(NCCOC(N)=O)c(Br)c1
InChIInChI=1S/C9H12BrN3O2/c1-6-4-7(10)8(13-5-6)12-2-3-15-9(11)14/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyYYKGSLRQIYBORG-UHFFFAOYSA-N
XLogP1.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 83202225
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
CID 68754647
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
2-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83215057
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 102677386

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate (CID 105367093) is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate is Cc1cnc(NCCOC(N)=O)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate?
The InChIKey is YYKGSLRQIYBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-6-4-7(10)8(13-5-6)12-2-3-15-9(11)14/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate?
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate has a molecular weight of 274.12 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate is sourced from PubChem (CID 105367093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).