methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate

C14H14N2O2 — CID 673870

IUPACmethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZWUBZIQOXMHHOZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.85
Rot. Bonds3

About methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate

methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate (PubChem CID 673870) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
PubChem CID673870
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZWUBZIQOXMHHOZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate (CID 673870) is methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate is COC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate?
The InChIKey is ZWUBZIQOXMHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate?
methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate has a molecular weight of 242.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 673870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).