6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide

C14H22BrN3O — CID 103875259

IUPAC6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C14H22BrN3O/c1-10(2)8-11(9-18(3)4)16-14(19)12-6-5-7-13(15)17-12/h5-7,10-11H,8-9H2,1-4H3,(H,16,19)
InChIKeyJHFBIGCSHADGLR-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.55
Rot. Bonds6

About 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide

6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide (PubChem CID 103875259) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
PubChem CID103875259
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C14H22BrN3O/c1-10(2)8-11(9-18(3)4)16-14(19)12-6-5-7-13(15)17-12/h5-7,10-11H,8-9H2,1-4H3,(H,16,19)
InChIKeyJHFBIGCSHADGLR-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.55
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-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144390
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide (CID 103875259) is 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide?
The InChIKey is JHFBIGCSHADGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10(2)8-11(9-18(3)4)16-14(19)12-6-5-7-13(15)17-12/h5-7,10-11H,8-9H2,1-4H3,(H,16,19).
What are the key properties of 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide?
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 103875259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).