3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide

C13H19BrN2O2 — CID 114078844

IUPAC3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ncccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-2-4-10(6-8-17)9-16-13(18)12-11(14)5-3-7-15-12/h3,5,7,10,17H,2,4,6,8-9H2,1H3,(H,16,18)
InChIKeyLICUMKDZZSCJNE-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.37
Rot. Bonds7

About 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide

3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide (PubChem CID 114078844) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
PubChem CID114078844
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ncccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-2-4-10(6-8-17)9-16-13(18)12-11(14)5-3-7-15-12/h3,5,7,10,17H,2,4,6,8-9H2,1H3,(H,16,18)
InChIKeyLICUMKDZZSCJNE-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
2-bromo-6-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103747776
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
3-bromo-N-hexan-3-ylpyridine-2-carboxamide
CID 107518890
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 106115965
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide (CID 114078844) is 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide is CCCC(CCO)CNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
The InChIKey is LICUMKDZZSCJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-4-10(6-8-17)9-16-13(18)12-11(14)5-3-7-15-12/h3,5,7,10,17H,2,4,6,8-9H2,1H3,(H,16,18).
What are the key properties of 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide is sourced from PubChem (CID 114078844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).