6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide

C11H16BrN3O — CID 103916694

IUPAC6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(Br)n1)N(C)C
InChIInChI=1S/C11H16BrN3O/c1-8(15(2)3)7-13-11(16)9-5-4-6-10(12)14-9/h4-6,8H,7H2,1-3H3,(H,13,16)
InChIKeyMOPWHFTYWIDJAF-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.52
Rot. Bonds4

About 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide

6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 103916694) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID103916694
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(Br)n1)N(C)C
InChIInChI=1S/C11H16BrN3O/c1-8(15(2)3)7-13-11(16)9-5-4-6-10(12)14-9/h4-6,8H,7H2,1-3H3,(H,13,16)
InChIKeyMOPWHFTYWIDJAF-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.52
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-cyanopropyl)pyridine-2-carboxamide
CID 103875341
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
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-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide (CID 103916694) is 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide is CC(CNC(=O)c1cccc(Br)n1)N(C)C.
What is the InChIKey of 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is MOPWHFTYWIDJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(15(2)3)7-13-11(16)9-5-4-6-10(12)14-9/h4-6,8H,7H2,1-3H3,(H,13,16).
What are the key properties of 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 103916694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).