2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide

C12H15BrN2O — CID 103752776

IUPAC2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cccnc1Br
InChIInChI=1S/C12H15BrN2O/c1-15(8-9-4-2-5-9)12(16)10-6-3-7-14-11(10)13/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyIHYGIYGWSSKHOG-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.72
Rot. Bonds3

About 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide

2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 103752776) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID103752776
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cccnc1Br
InChIInChI=1S/C12H15BrN2O/c1-15(8-9-4-2-5-9)12(16)10-6-3-7-14-11(10)13/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyIHYGIYGWSSKHOG-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 103752787
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 103753987
N-(cyclopropylmethyl)-N-methyl-2-pyrazol-1-ylpyridine-3-carboxamide
CID 75461699

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide (CID 103752776) is 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide is CN(CC1CCC1)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is IHYGIYGWSSKHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-15(8-9-4-2-5-9)12(16)10-6-3-7-14-11(10)13/h3,6-7,9H,2,4-5,8H2,1H3.
What are the key properties of 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide?
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103752776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).