2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide

C14H19BrN2O2 — CID 113255607

IUPAC2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOC1CCCCC1)c1ccnc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-10-11(6-7-16-13)14(18)17-8-9-19-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,17,18)
InChIKeyTYOVWSCOJPCIOI-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.92
Rot. Bonds5

About 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide

2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide (PubChem CID 113255607) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
PubChem CID113255607
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOC1CCCCC1)c1ccnc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-10-11(6-7-16-13)14(18)17-8-9-19-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,17,18)
InChIKeyTYOVWSCOJPCIOI-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyclopentyloxyethyl)pyridine-4-carboxamide
CID 63834137
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide (CID 113255607) is 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide is O=C(NCCOC1CCCCC1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide?
The InChIKey is TYOVWSCOJPCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-10-11(6-7-16-13)14(18)17-8-9-19-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,17,18).
What are the key properties of 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide?
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113255607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).