(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate

C14H15N2O2+ — CID 10022032

IUPAC(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1cc[n+](C)cc1)c1ccccc1
InChIInChI=1S/C14H15N2O2/c1-15-10-8-13(9-11-15)18-14(17)16(2)12-6-4-3-5-7-12/h3-11H,1-2H3/q+1
InChIKeyUSVDVVNNHLGVDI-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.15
Rot. Bonds2

About (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate

(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate (PubChem CID 10022032) has the molecular formula C14H15N2O2+ and a molecular weight of 243.29 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
PubChem CID10022032
Molecular FormulaC14H15N2O2+
Molecular Weight243.29 g/mol
Exact Mass243.11
IUPAC Name(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1cc[n+](C)cc1)c1ccccc1
InChIInChI=1S/C14H15N2O2/c1-15-10-8-13(9-11-15)18-14(17)16(2)12-6-4-3-5-7-12/h3-11H,1-2H3/q+1
InChIKeyUSVDVVNNHLGVDI-UHFFFAOYSA-N
XLogP2.15
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
CID 90862330
(1-methylpyridin-1-ium-4-yl) benzoate
CID 10042923
methyl 3-[methyl(phenyl)carbamoyl]oxybenzoate
CID 71541824
(1-methylpyridin-1-ium-4-yl) acetate
CID 20715116
phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450
[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
CID 91520177
[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate
CID 154154080
(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate
CID 10711199
N-methyl-N-phenylpyridin-1-ium-1-carboxamide
CID 11747011
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
2-hydroxyethyl N-methyl-N-phenylcarbamate
CID 79346039

Frequently Asked Questions

What is the IUPAC name of (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate?
The IUPAC name of (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate (CID 10022032) is (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate is CN(C(=O)Oc1cc[n+](C)cc1)c1ccccc1.
What is the InChIKey of (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate?
The InChIKey is USVDVVNNHLGVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O2/c1-15-10-8-13(9-11-15)18-14(17)16(2)12-6-4-3-5-7-12/h3-11H,1-2H3/q+1.
What are the key properties of (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate?
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate has a molecular weight of 243.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 10022032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).