2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide

C11H15BrN2O — CID 82109726

IUPAC2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncc1)C(=O)C(C)(C)Br
InChIInChI=1S/C11H15BrN2O/c1-11(2,12)10(15)14(3)8-9-4-6-13-7-5-9/h4-7H,8H2,1-3H3
InChIKeyRCCARJXOUVYVCQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.21
Rot. Bonds3

About 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide

2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 82109726) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID82109726
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(Cc1ccncc1)C(=O)C(C)(C)Br
InChIInChI=1S/C11H15BrN2O/c1-11(2,12)10(15)14(3)8-9-4-6-13-7-5-9/h4-7H,8H2,1-3H3
InChIKeyRCCARJXOUVYVCQ-UHFFFAOYSA-N
XLogP2.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 76920402
2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
CID 47028268
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 114328072
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65300331
2,2-diethyl-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 43564268
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide (CID 82109726) is 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide is CN(Cc1ccncc1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is RCCARJXOUVYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,12)10(15)14(3)8-9-4-6-13-7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide?
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 82109726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).