N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide

C13H16N2O2 — CID 10014162

IUPACN-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
SMILESO=C(NN1CCC=C(CO)C1)c1ccccc1
InChIInChI=1S/C13H16N2O2/c16-10-11-5-4-8-15(9-11)14-13(17)12-6-2-1-3-7-12/h1-3,5-7,16H,4,8-10H2,(H,14,17)
InChIKeyNTTIXFNZIMGVKB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.96
Rot. Bonds3

About N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide

N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide (PubChem CID 10014162) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
PubChem CID10014162
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide
SMILESO=C(NN1CCC=C(CO)C1)c1ccccc1
InChIInChI=1S/C13H16N2O2/c16-10-11-5-4-8-15(9-11)14-13(17)12-6-2-1-3-7-12/h1-3,5-7,16H,4,8-10H2,(H,14,17)
InChIKeyNTTIXFNZIMGVKB-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
CID 15075694
N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896
N-(4-oxopiperidin-1-yl)benzamide
CID 57261442
N-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
CID 23660030
N-(4-anilinopiperidin-1-yl)benzamide
CID 175169072
N-[3,5-bis(sulfanylidene)-1,2,4-triazol-4-yl]benzamide
CID 76851960
N-methylbenzamide
CID 11954
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid
CID 11097854
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832
N-(3-oxomorpholin-4-yl)benzamide
CID 142776527
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The IUPAC name of N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide (CID 10014162) is N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The canonical SMILES for N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide is O=C(NN1CCC=C(CO)C1)c1ccccc1.
What is the InChIKey of N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
The InChIKey is NTTIXFNZIMGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-10-11-5-4-8-15(9-11)14-13(17)12-6-2-1-3-7-12/h1-3,5-7,16H,4,8-10H2,(H,14,17).
What are the key properties of N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide?
N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide has a molecular weight of 232.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzamide is sourced from PubChem (CID 10014162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).