N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide

C14H15N2O+ — CID 10987951

IUPACN-(2,4-dimethylpyridin-1-ium-1-yl)benzamide
SMILESCc1cc[n+](NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C14H14N2O/c1-11-8-9-16(12(2)10-11)15-14(17)13-6-4-3-5-7-13/h3-10H,1-2H3/p+1
InChIKeyQBFSPMYWNOFVFX-UHFFFAOYSA-O
MW227.29 g/mol
LogP1.97
Rot. Bonds2

About N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide

N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide (PubChem CID 10987951) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylpyridin-1-ium-1-yl)benzamide
PubChem CID10987951
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC NameN-(2,4-dimethylpyridin-1-ium-1-yl)benzamide
SMILESCc1cc[n+](NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C14H14N2O/c1-11-8-9-16(12(2)10-11)15-14(17)13-6-4-3-5-7-13/h3-10H,1-2H3/p+1
InChIKeyQBFSPMYWNOFVFX-UHFFFAOYSA-O
XLogP1.97
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide?
The IUPAC name of N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide (CID 10987951) is N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide?
The canonical SMILES for N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide is Cc1cc[n+](NC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide?
The InChIKey is QBFSPMYWNOFVFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O/c1-11-8-9-16(12(2)10-11)15-14(17)13-6-4-3-5-7-13/h3-10H,1-2H3/p+1.
What are the key properties of N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide?
N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide has a molecular weight of 227.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide is sourced from PubChem (CID 10987951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).