2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide

C11H15BrN2O2 — CID 103755507

IUPAC2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCCC(COC)NC(=O)c1cccnc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-8(7-16-2)14-11(15)9-5-4-6-13-10(9)12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyJNBNZRKHMJMNFF-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.00
Rot. Bonds5

About 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide

2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide (PubChem CID 103755507) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
PubChem CID103755507
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCCC(COC)NC(=O)c1cccnc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-8(7-16-2)14-11(15)9-5-4-6-13-10(9)12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyJNBNZRKHMJMNFF-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
CID 103755069
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704
3-(3-aminoprop-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107524482
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide (CID 103755507) is 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide is CCC(COC)NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide?
The InChIKey is JNBNZRKHMJMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-8(7-16-2)14-11(15)9-5-4-6-13-10(9)12/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide?
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103755507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).