phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride

C15H17ClN2O2 — CID 67697741

IUPACphenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride
SMILESCc1cc(C)c(NC(=O)Oc2ccccc2)c(C)n1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-10-9-11(2)16-12(3)14(10)17-15(18)19-13-7-5-4-6-8-13;/h4-9H,1-3H3,(H,17,18);1H
InChIKeyWAHOPFQRXXHAQP-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.04
Rot. Bonds2

About phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride

phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride (PubChem CID 67697741) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride.

Molecular Properties

Compound Namephenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride
PubChem CID67697741
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Namephenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride
SMILESCc1cc(C)c(NC(=O)Oc2ccccc2)c(C)n1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-10-9-11(2)16-12(3)14(10)17-15(18)19-13-7-5-4-6-8-13;/h4-9H,1-3H3,(H,17,18);1H
InChIKeyWAHOPFQRXXHAQP-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride?
The IUPAC name of phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride (CID 67697741) is phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride.
What is the SMILES notation for phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride?
The canonical SMILES for phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride is Cc1cc(C)c(NC(=O)Oc2ccccc2)c(C)n1.Cl.
What is the InChIKey of phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride?
The InChIKey is WAHOPFQRXXHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-10-9-11(2)16-12(3)14(10)17-15(18)19-13-7-5-4-6-8-13;/h4-9H,1-3H3,(H,17,18);1H.
What are the key properties of phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride?
phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,4,6-trimethyl-3-pyridinyl)carbamate;hydrochloride is sourced from PubChem (CID 67697741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).