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

C11H13BrN2O — CID 107517908

IUPAC3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)C1CC1
InChIInChI=1S/C11H13BrN2O/c1-7(8-4-5-8)14-11(15)10-9(12)3-2-6-13-10/h2-3,6-8H,4-5H2,1H3,(H,14,15)
InChIKeyTUYIDXASWQUXNL-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.37
Rot. Bonds3

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

3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide (PubChem CID 107517908) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
PubChem CID107517908
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1Br)C1CC1
InChIInChI=1S/C11H13BrN2O/c1-7(8-4-5-8)14-11(15)10-9(12)3-2-6-13-10/h2-3,6-8H,4-5H2,1H3,(H,14,15)
InChIKeyTUYIDXASWQUXNL-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
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
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518059
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide (CID 107517908) is 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ncccc1Br)C1CC1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
The InChIKey is TUYIDXASWQUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7(8-4-5-8)14-11(15)10-9(12)3-2-6-13-10/h2-3,6-8H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.37, 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-cyclopropylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).