2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

C13H19BrN2O — CID 114328230

IUPAC2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)C(C)(C)Br
InChIInChI=1S/C13H19BrN2O/c1-10(2)16(12(17)13(3,4)14)9-11-7-5-6-8-15-11/h5-8,10H,9H2,1-4H3
InChIKeyPGPYBQRPQYPLMT-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.99
Rot. Bonds4

About 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 114328230) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID114328230
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)C(C)(C)Br
InChIInChI=1S/C13H19BrN2O/c1-10(2)16(12(17)13(3,4)14)9-11-7-5-6-8-15-11/h5-8,10H,9H2,1-4H3
InChIKeyPGPYBQRPQYPLMT-UHFFFAOYSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Dimethylaminomethyl)-pyridine
CID 252482
2-(Diethylaminomethyl)-pyridine
CID 253822
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
Diethyl-pyridin-2-ylmethyl-amine
CID 16682376
2,2-Dimethyl-1-(3-pyridin-2-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703734
N-methyl-N-(pyridin-3-yl)acetamide
CID 2727860
N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3151179
3-Methyl-1-(2-pyridinylmethyl)-4-piperidinone dihydrochloride
CID 15944967
N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide
CID 3114026
2-(2,3-Dimethylpyridin-1-ium-1-yl)-1-piperidin-1-ylethanone bromide
CID 16192936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (CID 114328230) is 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is CC(C)N(Cc1ccccn1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PGPYBQRPQYPLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(2)16(12(17)13(3,4)14)9-11-7-5-6-8-15-11/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 114328230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).