5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide

C14H19BrN2O2 — CID 55081948

IUPAC5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-10-2-4-14(9-18,5-3-10)17-13(19)11-6-12(15)8-16-7-11/h6-8,10,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyKPLLUJGXOGBPCG-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.52
Rot. Bonds3

About 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide

5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide (PubChem CID 55081948) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
PubChem CID55081948
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-10-2-4-14(9-18,5-3-10)17-13(19)11-6-12(15)8-16-7-11/h6-8,10,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyKPLLUJGXOGBPCG-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
4,5-dibromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiophene-2-carboxamide
CID 62525616
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 104630803
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
3-bromo-N-[1-(bromomethyl)-4-methylcyclohexyl]-5-chlorobenzamide
CID 107941282
5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
CID 61120747
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide (CID 55081948) is 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide is CC1CCC(CO)(NC(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
The InChIKey is KPLLUJGXOGBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-2-4-14(9-18,5-3-10)17-13(19)11-6-12(15)8-16-7-11/h6-8,10,18H,2-5,9H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 55081948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).