5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide

C13H16Br2N2O — CID 114148085

IUPAC5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)c1cncc(Br)c1
InChIInChI=1S/C13H16Br2N2O/c14-11-3-1-9(2-4-11)6-17-13(18)10-5-12(15)8-16-7-10/h5,7-9,11H,1-4,6H2,(H,17,18)
InChIKeyCDWAAFJILSTSHJ-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide

5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 114148085) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID114148085
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)c1cncc(Br)c1
InChIInChI=1S/C13H16Br2N2O/c14-11-3-1-9(2-4-11)6-17-13(18)10-5-12(15)8-16-7-10/h5,7-9,11H,1-4,6H2,(H,17,18)
InChIKeyCDWAAFJILSTSHJ-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
CID 114148125
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
N-[(4-bromocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106134580
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide (CID 114148085) is 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1CCC(Br)CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is CDWAAFJILSTSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c14-11-3-1-9(2-4-11)6-17-13(18)10-5-12(15)8-16-7-10/h5,7-9,11H,1-4,6H2,(H,17,18).
What are the key properties of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 376.09 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114148085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).