N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide

C11H15BrN2O2 — CID 106184021

IUPACN-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCOCC(CBr)NC(=O)c1cccnc1C
InChIInChI=1S/C11H15BrN2O2/c1-8-10(4-3-5-13-8)11(15)14-9(6-12)7-16-2/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyALTMAUGIKJQYGP-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.53
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide

N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 106184021) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID106184021
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCOCC(CBr)NC(=O)c1cccnc1C
InChIInChI=1S/C11H15BrN2O2/c1-8-10(4-3-5-13-8)11(15)14-9(6-12)7-16-2/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyALTMAUGIKJQYGP-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide 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

N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide (CID 106184021) is N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide is COCC(CBr)NC(=O)c1cccnc1C.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is ALTMAUGIKJQYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-10(4-3-5-13-8)11(15)14-9(6-12)7-16-2/h3-5,9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide?
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 106184021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).