N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide

C14H19BrN2O2 — CID 114039940

IUPACN-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCN(C(=O)c1ccn(C)c(=O)c1)C1CCCCC1Br
InChIInChI=1S/C14H19BrN2O2/c1-16-8-7-10(9-13(16)18)14(19)17(2)12-6-4-3-5-11(12)15/h7-9,11-12H,3-6H2,1-2H3
InChIKeyJBUQXPZACODBQD-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.16
Rot. Bonds2

About N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide

N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 114039940) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID114039940
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCN(C(=O)c1ccn(C)c(=O)c1)C1CCCCC1Br
InChIInChI=1S/C14H19BrN2O2/c1-16-8-7-10(9-13(16)18)14(19)17(2)12-6-4-3-5-11(12)15/h7-9,11-12H,3-6H2,1-2H3
InChIKeyJBUQXPZACODBQD-UHFFFAOYSA-N
XLogP2.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide (CID 114039940) is N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide is CN(C(=O)c1ccn(C)c(=O)c1)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is JBUQXPZACODBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-8-7-10(9-13(16)18)14(19)17(2)12-6-4-3-5-11(12)15/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 114039940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).