6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide

C14H20BrN3O — CID 162527967

IUPAC6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
SMILESCN(C)C1CCCC(NC(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C14H20BrN3O/c1-18(2)11-6-3-5-10(9-11)16-14(19)12-7-4-8-13(15)17-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,16,19)
InChIKeyHZYSVVJQVBLYLN-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.45
Rot. Bonds3

About 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide

6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide (PubChem CID 162527967) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
PubChem CID162527967
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
SMILESCN(C)C1CCCC(NC(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C14H20BrN3O/c1-18(2)11-6-3-5-10(9-11)16-14(19)12-7-4-8-13(15)17-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,16,19)
InChIKeyHZYSVVJQVBLYLN-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103889979
2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
CID 119947270
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
CID 119889091
6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103916993
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide (CID 162527967) is 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide is CN(C)C1CCCC(NC(=O)c2cccc(Br)n2)C1.
What is the InChIKey of 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is HZYSVVJQVBLYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(2)11-6-3-5-10(9-11)16-14(19)12-7-4-8-13(15)17-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,16,19).
What are the key properties of 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide?
6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 162527967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).