2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide

C15H21BrN2O — CID 114036166

IUPAC2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
SMILESCC1CCC(CCNC(=O)c2cccnc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-11-4-6-12(7-5-11)8-10-18-15(19)13-3-2-9-17-14(13)16/h2-3,9,11-12H,4-8,10H2,1H3,(H,18,19)
InChIKeyXLFXIHDLZZNRRO-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.79
Rot. Bonds4

About 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide

2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide (PubChem CID 114036166) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
PubChem CID114036166
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
SMILESCC1CCC(CCNC(=O)c2cccnc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-11-4-6-12(7-5-11)8-10-18-15(19)13-3-2-9-17-14(13)16/h2-3,9,11-12H,4-8,10H2,1H3,(H,18,19)
InChIKeyXLFXIHDLZZNRRO-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 104630803
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide (CID 114036166) is 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide is CC1CCC(CCNC(=O)c2cccnc2Br)CC1.
What is the InChIKey of 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide?
The InChIKey is XLFXIHDLZZNRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-4-6-12(7-5-11)8-10-18-15(19)13-3-2-9-17-14(13)16/h2-3,9,11-12H,4-8,10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide?
2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 114036166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).