N-[3-(hydroxymethyl)-2-pyridinyl]benzamide

C13H12N2O2 — CID 82343590

IUPACN-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ncccc1CO)c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-9-11-7-4-8-14-12(11)15-13(17)10-5-2-1-3-6-10/h1-8,16H,9H2,(H,14,15,17)
InChIKeyNIPYGIKLODAZDT-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.83
Rot. Bonds3

About N-[3-(hydroxymethyl)-2-pyridinyl]benzamide

N-[3-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 82343590) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID82343590
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ncccc1CO)c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-9-11-7-4-8-14-12(11)15-13(17)10-5-2-1-3-6-10/h1-8,16H,9H2,(H,14,15,17)
InChIKeyNIPYGIKLODAZDT-UHFFFAOYSA-N
XLogP1.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrimidin-2-ylbenzamide
CID 638481
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
N-(3,4-diamino-2-pyridinyl)benzamide
CID 91432821
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
N-[2-[(2-amino-2-oxoethyl)amino]-3-pyridinyl]benzamide
CID 14390486
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
N-[2-(naphthalen-1-ylmethoxy)-3-pyridinyl]benzamide
CID 140808981
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-pyridinyl]benzamide (CID 82343590) is N-[3-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-pyridinyl]benzamide is O=C(Nc1ncccc1CO)c1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is NIPYGIKLODAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-9-11-7-4-8-14-12(11)15-13(17)10-5-2-1-3-6-10/h1-8,16H,9H2,(H,14,15,17).
What are the key properties of N-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
N-[3-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 82343590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).