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

C13H17BrN2O2 — CID 105064552

IUPACN-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C13H17BrN2O2/c1-18-12-8-15-7-6-11(12)13(17)16-10-4-2-9(14)3-5-10/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeyJQXACAOEEPEEEI-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.53
Rot. Bonds3

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

N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105064552) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
PubChem CID105064552
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C13H17BrN2O2/c1-18-12-8-15-7-6-11(12)13(17)16-10-4-2-9(14)3-5-10/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeyJQXACAOEEPEEEI-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.53
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

3-methoxy-N-[4-(methylamino)cyclohexyl]pyridine-4-carboxamide
CID 105063330
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
CID 105063711
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide (CID 105064552) is N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is JQXACAOEEPEEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-12-8-15-7-6-11(12)13(17)16-10-4-2-9(14)3-5-10/h6-10H,2-5H2,1H3,(H,16,17).
What are the key properties of N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide?
N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).