3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide

C12H15BrN2O2 — CID 107519429

IUPAC3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1ncccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-9(2)8-17-7-6-15-12(16)11-10(13)4-3-5-14-11/h3-5H,1,6-8H2,2H3,(H,15,16)
InChIKeyNGMUKKGRXRXOCE-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.17
Rot. Bonds6

About 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide

3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide (PubChem CID 107519429) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
PubChem CID107519429
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1ncccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-9(2)8-17-7-6-15-12(16)11-10(13)4-3-5-14-11/h3-5H,1,6-8H2,2H3,(H,15,16)
InChIKeyNGMUKKGRXRXOCE-UHFFFAOYSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide (CID 107519429) is 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide is C=C(C)COCCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is NGMUKKGRXRXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-9(2)8-17-7-6-15-12(16)11-10(13)4-3-5-14-11/h3-5H,1,6-8H2,2H3,(H,15,16).
What are the key properties of 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide?
3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).