N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide

C12H15BrN2O2 — CID 105064624

IUPACN-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC1(CBr)CCC1
InChIInChI=1S/C12H15BrN2O2/c1-17-10-7-14-6-3-9(10)11(16)15-12(8-13)4-2-5-12/h3,6-7H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyVKYOYZUZAMNDOF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide

N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide (PubChem CID 105064624) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide
PubChem CID105064624
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC1(CBr)CCC1
InChIInChI=1S/C12H15BrN2O2/c1-17-10-7-14-6-3-9(10)11(16)15-12(8-13)4-2-5-12/h3,6-7H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyVKYOYZUZAMNDOF-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
N-[3-(bromomethyl)pentan-3-yl]-3-methoxypyridine-4-carboxamide
CID 105064569
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
CID 105063711
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
CID 104672706

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide (CID 105064624) is N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NC1(CBr)CCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is VKYOYZUZAMNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-10-7-14-6-3-9(10)11(16)15-12(8-13)4-2-5-12/h3,6-7H,2,4-5,8H2,1H3,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide?
N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).