2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide

C14H19BrN2O2 — CID 109476429

IUPAC2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2(O)CCCCC2)c(Br)n1
InChIInChI=1S/C14H19BrN2O2/c1-10-5-6-11(12(15)17-10)13(18)16-9-14(19)7-3-2-4-8-14/h5-6,19H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyACCUXSJLFBPLLZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.58
Rot. Bonds3

About 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide

2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 109476429) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID109476429
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2(O)CCCCC2)c(Br)n1
InChIInChI=1S/C14H19BrN2O2/c1-10-5-6-11(12(15)17-10)13(18)16-9-14(19)7-3-2-4-8-14/h5-6,19H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyACCUXSJLFBPLLZ-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.58
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

2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 115701312
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide (CID 109476429) is 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2(O)CCCCC2)c(Br)n1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ACCUXSJLFBPLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-5-6-11(12(15)17-10)13(18)16-9-14(19)7-3-2-4-8-14/h5-6,19H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 109476429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).