2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide

C12H15BrN2O — CID 107904243

IUPAC2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(Br)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-9(13)12(16)15(11-5-6-11)8-10-4-2-3-7-14-10/h2-4,7,9,11H,5-6,8H2,1H3
InChIKeySRLSNVXWKAPRQL-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.36
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide

2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 107904243) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID107904243
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(Br)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-9(13)12(16)15(11-5-6-11)8-10-4-2-3-7-14-10/h2-4,7,9,11H,5-6,8H2,1H3
InChIKeySRLSNVXWKAPRQL-UHFFFAOYSA-N
XLogP2.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-cyclopropyl-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-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 80543102
(2S)-2-amino-N-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 61165416
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
N-cyclopropyl-2-(4-phenylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 55607567
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
CID 62474295
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide (CID 107904243) is 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide is CC(Br)C(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is SRLSNVXWKAPRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9(13)12(16)15(11-5-6-11)8-10-4-2-3-7-14-10/h2-4,7,9,11H,5-6,8H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide?
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 283.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 107904243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).