6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide

C13H17BrN2O2 — CID 113351463

IUPAC6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cccc(Br)n1
InChIInChI=1S/C13H17BrN2O2/c14-12-7-3-5-10(16-12)13(18)15-8-9-4-1-2-6-11(9)17/h3,5,7,9,11,17H,1-2,4,6,8H2,(H,15,18)
InChIKeyAMHWHEJMVIVUGV-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.12
Rot. Bonds3

About 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide

6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 113351463) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID113351463
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cccc(Br)n1
InChIInChI=1S/C13H17BrN2O2/c14-12-7-3-5-10(16-12)13(18)15-8-9-4-1-2-6-11(9)17/h3,5,7,9,11,17H,1-2,4,6,8H2,(H,15,18)
InChIKeyAMHWHEJMVIVUGV-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
6-bromo-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 103889926
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
CID 115497967
6-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103916914
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
CID 122057995
4-bromo-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64913420
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide (CID 113351463) is 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide is O=C(NCC1CCCCC1O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is AMHWHEJMVIVUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-12-7-3-5-10(16-12)13(18)15-8-9-4-1-2-6-11(9)17/h3,5,7,9,11,17H,1-2,4,6,8H2,(H,15,18).
What are the key properties of 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113351463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).