N-(pyridin-1-ium-2-ylmethyl)benzamide chloride

C13H13ClN2O — CID 74766050

IUPACN-(pyridin-1-ium-2-ylmethyl)benzamide chloride
SMILESO=C(NCc1cccc[nH+]1)c1ccccc1.[Cl-]
InChIInChI=1S/C13H12N2O.ClH/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12;/h1-9H,10H2,(H,15,16);1H
InChIKeyRRRWKCXCJUWPAR-UHFFFAOYSA-N
MW248.71 g/mol
LogP-1.57
Rot. Bonds3

About N-(pyridin-1-ium-2-ylmethyl)benzamide chloride

N-(pyridin-1-ium-2-ylmethyl)benzamide chloride (PubChem CID 74766050) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-(pyridin-1-ium-2-ylmethyl)benzamide chloride.

Molecular Properties

Compound NameN-(pyridin-1-ium-2-ylmethyl)benzamide chloride
PubChem CID74766050
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-(pyridin-1-ium-2-ylmethyl)benzamide chloride
SMILESO=C(NCc1cccc[nH+]1)c1ccccc1.[Cl-]
InChIInChI=1S/C13H12N2O.ClH/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12;/h1-9H,10H2,(H,15,16);1H
InChIKeyRRRWKCXCJUWPAR-UHFFFAOYSA-N
XLogP-1.57
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide
CID 4056406
N,N'-bis(pyridin-1-ium-2-ylmethyl)oxamide;bis(3,5-dicarboxybenzoate)
CID 139087948
4-(benzamidomethyl)benzoic acid
CID 10879683
N-ethylbenzamide
CID 160772566
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
N-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]benzamide
CID 14971533
N-ethylbenzamide;hydrochloride
CID 57444995
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-1-ium-2-ylmethyl)benzamide chloride?
The IUPAC name of N-(pyridin-1-ium-2-ylmethyl)benzamide chloride (CID 74766050) is N-(pyridin-1-ium-2-ylmethyl)benzamide chloride.
What is the SMILES notation for N-(pyridin-1-ium-2-ylmethyl)benzamide chloride?
The canonical SMILES for N-(pyridin-1-ium-2-ylmethyl)benzamide chloride is O=C(NCc1cccc[nH+]1)c1ccccc1.[Cl-].
What is the InChIKey of N-(pyridin-1-ium-2-ylmethyl)benzamide chloride?
The InChIKey is RRRWKCXCJUWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12;/h1-9H,10H2,(H,15,16);1H.
What are the key properties of N-(pyridin-1-ium-2-ylmethyl)benzamide chloride?
N-(pyridin-1-ium-2-ylmethyl)benzamide chloride has a molecular weight of 248.71 g/mol, XLogP of -1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-1-ium-2-ylmethyl)benzamide chloride is sourced from PubChem (CID 74766050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).