N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide

C12H17BrN2O — CID 115274143

IUPACN-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-9(2)4-7-12(16)15(3)11-6-5-10(13)8-14-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyQTNJAKFZAUIMGF-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.24
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide

N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide (PubChem CID 115274143) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
PubChem CID115274143
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O/c1-9(2)4-7-12(16)15(3)11-6-5-10(13)8-14-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyQTNJAKFZAUIMGF-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78974449
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide (CID 115274143) is N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide?
The InChIKey is QTNJAKFZAUIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(2)4-7-12(16)15(3)11-6-5-10(13)8-14-11/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide?
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide has a molecular weight of 285.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 115274143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).