N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide

C19H17N2O+ — CID 135024198

IUPACN-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide
SMILESCc1cc[n+](NC(=O)c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C19H16N2O/c1-15-12-13-21(18(14-15)16-8-4-2-5-9-16)20-19(22)17-10-6-3-7-11-17/h2-14H,1H3/p+1
InChIKeyLQIJHUAXPNLRQH-UHFFFAOYSA-O
MW289.36 g/mol
LogP3.33
Rot. Bonds3

About N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide

N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide (PubChem CID 135024198) has the molecular formula C19H17N2O+ and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide
PubChem CID135024198
Molecular FormulaC19H17N2O+
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide
SMILESCc1cc[n+](NC(=O)c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C19H16N2O/c1-15-12-13-21(18(14-15)16-8-4-2-5-9-16)20-19(22)17-10-6-3-7-11-17/h2-14H,1H3/p+1
InChIKeyLQIJHUAXPNLRQH-UHFFFAOYSA-O
XLogP3.33
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.33
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-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide?
The IUPAC name of N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide (CID 135024198) is N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide.
What is the SMILES notation for N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide?
The canonical SMILES for N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide is Cc1cc[n+](NC(=O)c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide?
The InChIKey is LQIJHUAXPNLRQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2O/c1-15-12-13-21(18(14-15)16-8-4-2-5-9-16)20-19(22)17-10-6-3-7-11-17/h2-14H,1H3/p+1.
What are the key properties of N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide?
N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide is sourced from PubChem (CID 135024198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).