(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate

C20H18N2O2 — CID 174441849

IUPAC(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate
SMILESCc1cc(-c2cccnc2)ccc1OC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-15-13-16(17-7-6-12-21-14-17)10-11-19(15)24-20(23)22(2)18-8-4-3-5-9-18/h3-14H,1-2H3
InChIKeyWGAUVDDJFKFJMS-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.69
Rot. Bonds3

About (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate

(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate (PubChem CID 174441849) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate
PubChem CID174441849
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate
SMILESCc1cc(-c2cccnc2)ccc1OC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-15-13-16(17-7-6-12-21-14-17)10-11-19(15)24-20(23)22(2)18-8-4-3-5-9-18/h3-14H,1-2H3
InChIKeyWGAUVDDJFKFJMS-UHFFFAOYSA-N
XLogP4.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate?
The IUPAC name of (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate (CID 174441849) is (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate is Cc1cc(-c2cccnc2)ccc1OC(=O)N(C)c1ccccc1.
What is the InChIKey of (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate?
The InChIKey is WGAUVDDJFKFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-15-13-16(17-7-6-12-21-14-17)10-11-19(15)24-20(23)22(2)18-8-4-3-5-9-18/h3-14H,1-2H3.
What are the key properties of (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate?
(2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate has a molecular weight of 318.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyridin-3-ylphenyl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 174441849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).