3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide

C10H15BrN2O2 — CID 123166838

IUPAC3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide
SMILESCC(O)CNC(=O)C1=CN(C)CC(Br)=C1
InChIInChI=1S/C10H15BrN2O2/c1-7(14)4-12-10(15)8-3-9(11)6-13(2)5-8/h3,5,7,14H,4,6H2,1-2H3,(H,12,15)
InChIKeyKCFDRCWNIDAROD-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.59
Rot. Bonds3

About 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide

3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide (PubChem CID 123166838) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide
PubChem CID123166838
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide
SMILESCC(O)CNC(=O)C1=CN(C)CC(Br)=C1
InChIInChI=1S/C10H15BrN2O2/c1-7(14)4-12-10(15)8-3-9(11)6-13(2)5-8/h3,5,7,14H,4,6H2,1-2H3,(H,12,15)
InChIKeyKCFDRCWNIDAROD-UHFFFAOYSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide (CID 123166838) is 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide is CC(O)CNC(=O)C1=CN(C)CC(Br)=C1.
What is the InChIKey of 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide?
The InChIKey is KCFDRCWNIDAROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(14)4-12-10(15)8-3-9(11)6-13(2)5-8/h3,5,7,14H,4,6H2,1-2H3,(H,12,15).
What are the key properties of 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide?
3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxypropyl)-1-methyl-2H-pyridine-5-carboxamide is sourced from PubChem (CID 123166838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).