6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide

C12H15BrN2O — CID 115669873

IUPAC6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)nc1)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-8(9-2-3-9)6-15-12(16)10-4-5-11(13)14-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyRIFXXGPFTRYHHE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.62
Rot. Bonds4

About 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide

6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide (PubChem CID 115669873) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
PubChem CID115669873
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)nc1)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-8(9-2-3-9)6-15-12(16)10-4-5-11(13)14-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyRIFXXGPFTRYHHE-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
CID 66462749
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
CID 113266416
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide (CID 115669873) is 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide is CC(CNC(=O)c1ccc(Br)nc1)C1CC1.
What is the InChIKey of 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
The InChIKey is RIFXXGPFTRYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(9-2-3-9)6-15-12(16)10-4-5-11(13)14-7-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide?
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 115669873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).