6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide

C13H18BrN3O2 — CID 114037773

IUPAC6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C13H18BrN3O2/c1-9(2)7-15-12(18)8-17(3)13(19)10-5-4-6-11(14)16-10/h4-6,9H,7-8H2,1-3H3,(H,15,18)
InChIKeyLCKKSCIICLSLMV-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.69
Rot. Bonds5

About 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide

6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 114037773) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID114037773
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(C)CNC(=O)CN(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C13H18BrN3O2/c1-9(2)7-15-12(18)8-17(3)13(19)10-5-4-6-11(14)16-10/h4-6,9H,7-8H2,1-3H3,(H,15,18)
InChIKeyLCKKSCIICLSLMV-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.69
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-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
CID 103916984
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 107980558
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide
CID 113409418
6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
CID 103875341

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 114037773) is 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide is CC(C)CNC(=O)CN(C)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is LCKKSCIICLSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-9(2)7-15-12(18)8-17(3)13(19)10-5-4-6-11(14)16-10/h4-6,9H,7-8H2,1-3H3,(H,15,18).
What are the key properties of 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide?
6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 114037773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).