N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide

C11H15BrN2O2 — CID 105064561

IUPACN-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCCC(C)Br
InChIInChI=1S/C11H15BrN2O2/c1-8(12)3-6-14-11(15)9-4-5-13-7-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyRJQURVYDEXXIBU-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.99
Rot. Bonds5

About N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide

N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105064561) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
PubChem CID105064561
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCCC(C)Br
InChIInChI=1S/C11H15BrN2O2/c1-8(12)3-6-14-11(15)9-4-5-13-7-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyRJQURVYDEXXIBU-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
CID 105063908
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide (CID 105064561) is N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCCC(C)Br.
What is the InChIKey of N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is RJQURVYDEXXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(12)3-6-14-11(15)9-4-5-13-7-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide?
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).