6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide

C16H18BrN3O — CID 66462748

IUPAC6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
SMILESCN(C)CC(NC(=O)c1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C16H18BrN3O/c1-20(2)11-14(12-6-4-3-5-7-12)19-16(21)13-8-9-15(17)18-10-13/h3-10,14H,11H2,1-2H3,(H,19,21)
InChIKeyDVRBKMZWCMZZGQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.88
Rot. Bonds5

About 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide

6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 66462748) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID66462748
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
SMILESCN(C)CC(NC(=O)c1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C16H18BrN3O/c1-20(2)11-14(12-6-4-3-5-7-12)19-16(21)13-8-9-15(17)18-10-13/h3-10,14H,11H2,1-2H3,(H,19,21)
InChIKeyDVRBKMZWCMZZGQ-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.88
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

N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide
CID 60693531
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 8937300
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938193
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
CID 155947722
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide (CID 66462748) is 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide is CN(C)CC(NC(=O)c1ccc(Br)nc1)c1ccccc1.
What is the InChIKey of 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is DVRBKMZWCMZZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-20(2)11-14(12-6-4-3-5-7-12)19-16(21)13-8-9-15(17)18-10-13/h3-10,14H,11H2,1-2H3,(H,19,21).
What are the key properties of 6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide?
6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 2.88, 5 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)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).