tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate

C21H26FN3O2 — CID 168964865

IUPACtert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)cc1N1CCCC1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)27-20(26)24-14-16-13-23-18(15-6-8-17(22)9-7-15)12-19(16)25-10-4-5-11-25/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,26)
InChIKeyRXHZXNXFMQXNCI-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.51
Rot. Bonds4

About tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate

tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate (PubChem CID 168964865) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate
PubChem CID168964865
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Nametert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)cc1N1CCCC1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)27-20(26)24-14-16-13-23-18(15-6-8-17(22)9-7-15)12-19(16)25-10-4-5-11-25/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,26)
InChIKeyRXHZXNXFMQXNCI-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[6-(4-fluorophenyl)-4-(1-trityl-1,2,4-triazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 168965324
tert-butyl N-[[5-(fluoromethyl)-2-[2-(fluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]carbamate
CID 122534133
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
CID 91816981
tert-butyl N-[[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamate
CID 58393262
tert-butyl 4-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-3-pyridinyl]piperazine-1-carboxylate
CID 168964916
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
tert-butyl N-[2-(5-amino-2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 139270530
tert-butyl N-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]carbamate
CID 134192426
tert-butyl N-[[1-(4-fluoro-2-formylphenyl)azetidin-2-yl]methyl]carbamate
CID 162353310
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate (CID 168964865) is tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)cc1N1CCCC1.
What is the InChIKey of tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate?
The InChIKey is RXHZXNXFMQXNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-21(2,3)27-20(26)24-14-16-13-23-18(15-6-8-17(22)9-7-15)12-19(16)25-10-4-5-11-25/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate has a molecular weight of 371.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-(4-fluorophenyl)-4-pyrrolidin-1-yl-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 168964865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).