pyridin-4-ylmethyl N-(4-methylphenyl)carbamate

C14H14N2O2 — CID 21000

IUPACpyridin-4-ylmethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c1-11-2-4-13(5-3-11)16-14(17)18-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCXJHMYDMVAHRGA-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.14
Rot. Bonds3

About pyridin-4-ylmethyl N-(4-methylphenyl)carbamate

pyridin-4-ylmethyl N-(4-methylphenyl)carbamate (PubChem CID 21000) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-(4-methylphenyl)carbamate
PubChem CID21000
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namepyridin-4-ylmethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c1-11-2-4-13(5-3-11)16-14(17)18-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCXJHMYDMVAHRGA-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethane;(4-methylphenyl)methyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 171823999
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
amino N-(4-methylphenyl)carbamate
CID 22737872
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-(4-methylphenyl)carbamate?
The IUPAC name of pyridin-4-ylmethyl N-(4-methylphenyl)carbamate (CID 21000) is pyridin-4-ylmethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCc2ccncc2)cc1.
What is the InChIKey of pyridin-4-ylmethyl N-(4-methylphenyl)carbamate?
The InChIKey is CXJHMYDMVAHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-2-4-13(5-3-11)16-14(17)18-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of pyridin-4-ylmethyl N-(4-methylphenyl)carbamate?
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate has a molecular weight of 242.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 21000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).