4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide

C16H17BrN2O2 — CID 71862079

IUPAC4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
SMILESO=C(NCC(CO)Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c17-14-6-4-13(5-7-14)16(21)19-10-12(11-20)9-15-3-1-2-8-18-15/h1-8,12,20H,9-11H2,(H,19,21)
InChIKeyCONWZUWKFNAFKH-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.43
Rot. Bonds6

About 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide

4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide (PubChem CID 71862079) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
PubChem CID71862079
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
SMILESO=C(NCC(CO)Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c17-14-6-4-13(5-7-14)16(21)19-10-12(11-20)9-15-3-1-2-8-18-15/h1-8,12,20H,9-11H2,(H,19,21)
InChIKeyCONWZUWKFNAFKH-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 111784598
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 111784829
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
CID 111784445
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide (CID 71862079) is 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide is O=C(NCC(CO)Cc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide?
The InChIKey is CONWZUWKFNAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-14-6-4-13(5-7-14)16(21)19-10-12(11-20)9-15-3-1-2-8-18-15/h1-8,12,20H,9-11H2,(H,19,21).
What are the key properties of 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide?
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide is sourced from PubChem (CID 71862079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).