tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate

C19H23FN2O2 — CID 129042191

IUPACtert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate
SMILESCc1cc(-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)cc(C)n1
InChIInChI=1S/C19H23FN2O2/c1-12-8-16(9-13(2)22-12)14-6-7-15(17(20)10-14)11-21-18(23)24-19(3,4)5/h6-10H,11H2,1-5H3,(H,21,23)
InChIKeyGFMATZDAVYPRDS-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.53
Rot. Bonds3

About tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate

tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate (PubChem CID 129042191) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate
PubChem CID129042191
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Nametert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate
SMILESCc1cc(-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)cc(C)n1
InChIInChI=1S/C19H23FN2O2/c1-12-8-16(9-13(2)22-12)14-6-7-15(17(20)10-14)11-21-18(23)24-19(3,4)5/h6-10H,11H2,1-5H3,(H,21,23)
InChIKeyGFMATZDAVYPRDS-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate (CID 129042191) is tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate is Cc1cc(-c2ccc(CNC(=O)OC(C)(C)C)c(F)c2)cc(C)n1.
What is the InChIKey of tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate?
The InChIKey is GFMATZDAVYPRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12-8-16(9-13(2)22-12)14-6-7-15(17(20)10-14)11-21-18(23)24-19(3,4)5/h6-10H,11H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate?
tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate has a molecular weight of 330.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2,6-dimethyl-4-pyridinyl)-2-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 129042191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).