2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide

C18H20N2O2 — CID 138023338

IUPAC2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)n1)c1ccccc1C1CCC1
InChIInChI=1S/C18H20N2O2/c21-12-15-8-4-7-14(20-15)11-19-18(22)17-10-2-1-9-16(17)13-5-3-6-13/h1-2,4,7-10,13,21H,3,5-6,11-12H2,(H,19,22)
InChIKeyHHHKCAYCTSOVGU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds5

About 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide

2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide (PubChem CID 138023338) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide
PubChem CID138023338
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)n1)c1ccccc1C1CCC1
InChIInChI=1S/C18H20N2O2/c21-12-15-8-4-7-14(20-15)11-19-18(22)17-10-2-1-9-16(17)13-5-3-6-13/h1-2,4,7-10,13,21H,3,5-6,11-12H2,(H,19,22)
InChIKeyHHHKCAYCTSOVGU-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2812767
4-N-cyclopropyl-6-[hydroxy(phenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 132185846
6-(2-hydroxy-1-phenylethyl)-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186038
6-[hydroxy(phenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186095
6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44416876
6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-mercapto-1-oxobutan-2-yl)carbamoyl)picolinic acid
CID 44417193
6-[(4-Fluoro-phenyl)-hydroxy-methyl]-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105700
US10239838, Example 31
CID 121413959
US10239838, Example 18
CID 121413976
US10239838, Example 23
CID 121413995
6-(Benzylcarbamoyl)pyridine-2-carboxylic acid
CID 43558290
6-(2-Phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558381

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide?
The IUPAC name of 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide (CID 138023338) is 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide is O=C(NCc1cccc(CO)n1)c1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide?
The InChIKey is HHHKCAYCTSOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-12-15-8-4-7-14(20-15)11-19-18(22)17-10-2-1-9-16(17)13-5-3-6-13/h1-2,4,7-10,13,21H,3,5-6,11-12H2,(H,19,22).
What are the key properties of 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide?
2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 138023338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).