5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide

C13H16Br2N2O — CID 114148125

IUPAC5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)c1ccc(Br)cn1
InChIInChI=1S/C13H16Br2N2O/c14-10-3-1-9(2-4-10)7-17-13(18)12-6-5-11(15)8-16-12/h5-6,8-10H,1-4,7H2,(H,17,18)
InChIKeyFFGKDNNTLGYFDX-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide

5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 114148125) 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-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID114148125
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)c1ccc(Br)cn1
InChIInChI=1S/C13H16Br2N2O/c14-10-3-1-9(2-4-10)7-17-13(18)12-6-5-11(15)8-16-12/h5-6,8-10H,1-4,7H2,(H,17,18)
InChIKeyFFGKDNNTLGYFDX-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-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
CID 146675190
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide (CID 114148125) is 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide is O=C(NCC1CCC(Br)CC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is FFGKDNNTLGYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c14-10-3-1-9(2-4-10)7-17-13(18)12-6-5-11(15)8-16-12/h5-6,8-10H,1-4,7H2,(H,17,18).
What are the key properties of 5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 114148125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).