5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide

C12H17BrN2O2 — CID 55153816

IUPAC5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O2/c1-3-12(4-2,8-16)15-11(17)10-6-5-9(13)7-14-10/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyMXDLUKWULLRUNX-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.12
Rot. Bonds5

About 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide

5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 55153816) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID55153816
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O2/c1-3-12(4-2,8-16)15-11(17)10-6-5-9(13)7-14-10/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyMXDLUKWULLRUNX-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
CID 107865144
N-(3-ethylpentan-3-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642862
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
CID 62517417
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide (CID 55153816) is 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(CO)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is MXDLUKWULLRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-12(4-2,8-16)15-11(17)10-6-5-9(13)7-14-10/h5-7,16H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 55153816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).