6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide

C10H10BrN3O — CID 103875341

IUPAC6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
SMILESCC(C#N)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C10H10BrN3O/c1-7(5-12)6-13-10(15)8-3-2-4-9(11)14-8/h2-4,7H,6H2,1H3,(H,13,15)
InChIKeyBSJPZIGJLVQTEK-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.73
Rot. Bonds3

About 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide

6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide (PubChem CID 103875341) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
PubChem CID103875341
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
SMILESCC(C#N)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C10H10BrN3O/c1-7(5-12)6-13-10(15)8-3-2-4-9(11)14-8/h2-4,7H,6H2,1H3,(H,13,15)
InChIKeyBSJPZIGJLVQTEK-UHFFFAOYSA-N
XLogP1.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
6-bromo-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 103890083
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide (CID 103875341) is 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide is CC(C#N)CNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide?
The InChIKey is BSJPZIGJLVQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-7(5-12)6-13-10(15)8-3-2-4-9(11)14-8/h2-4,7H,6H2,1H3,(H,13,15).
What are the key properties of 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide?
6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide has a molecular weight of 268.11 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 103875341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).