3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide

C12H15BrN2O — CID 107519381

IUPAC3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)C1CCC1
InChIInChI=1S/C12H15BrN2O/c1-8(9-4-2-5-9)15-12(16)11-10(13)6-3-7-14-11/h3,6-9H,2,4-5H2,1H3,(H,15,16)
InChIKeyPVBXOIPGBODOBF-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.76
Rot. Bonds3

About 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide

3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide (PubChem CID 107519381) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
PubChem CID107519381
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)C1CCC1
InChIInChI=1S/C12H15BrN2O/c1-8(9-4-2-5-9)15-12(16)11-10(13)6-3-7-14-11/h3,6-9H,2,4-5H2,1H3,(H,15,16)
InChIKeyPVBXOIPGBODOBF-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
CID 130174766
3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 75522226
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
CID 107518791
3-bromo-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 107520277

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide (CID 107519381) is 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ncccc1Br)C1CCC1.
What is the InChIKey of 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide?
The InChIKey is PVBXOIPGBODOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(9-4-2-5-9)15-12(16)11-10(13)6-3-7-14-11/h3,6-9H,2,4-5H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide?
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).