N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide

C10H13BrN2O2 — CID 114310033

IUPACN-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCC(Br)CNC(=O)c1ccncc1
InChIInChI=1S/C10H13BrN2O2/c1-15-7-9(11)6-13-10(14)8-2-4-12-5-3-8/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKeyZAOZETPHCRYTJH-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.22
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide

N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 114310033) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
PubChem CID114310033
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC NameN-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCC(Br)CNC(=O)c1ccncc1
InChIInChI=1S/C10H13BrN2O2/c1-15-7-9(11)6-13-10(14)8-2-4-12-5-3-8/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKeyZAOZETPHCRYTJH-UHFFFAOYSA-N
XLogP1.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.22
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-methoxypropyl)-4-ethylbenzamide
CID 114309833
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
CID 114309984
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
N-(2-bromo-3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 114309908
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide (CID 114310033) is N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide is COCC(Br)CNC(=O)c1ccncc1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is ZAOZETPHCRYTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-15-7-9(11)6-13-10(14)8-2-4-12-5-3-8/h2-5,9H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide?
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114310033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).