tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate

C22H32N2O3 — CID 134328701

IUPACtert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(O)C2CC3CCC2C3)n1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)23-12-16-8-9-17(14-6-7-14)19(24-16)20(25)18-11-13-4-5-15(18)10-13/h8-9,13-15,18,20,25H,4-7,10-12H2,1-3H3,(H,23,26)
InChIKeyHSYWRJVVYYRFAA-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.45
Rot. Bonds5

About tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate

tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate (PubChem CID 134328701) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
PubChem CID134328701
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(O)C2CC3CCC2C3)n1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)23-12-16-8-9-17(14-6-7-14)19(24-16)20(25)18-11-13-4-5-15(18)10-13/h8-9,13-15,18,20,25H,4-7,10-12H2,1-3H3,(H,23,26)
InChIKeyHSYWRJVVYYRFAA-UHFFFAOYSA-N
XLogP4.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[5-cyclopropyl-6-(4-phenylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381262
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[[6-[4-(4-chloro-3-fluorophenyl)cyclohexanecarbonyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
CID 150960569
tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381452
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 134381173
tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
CID 103390066
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
tert-butyl N-[[6-[4-(4-chlorophenyl)cyclohexanecarbonyl]-5-propan-2-yl-2-pyridinyl]methyl]carbamate
CID 134382059
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
CID 86618645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate (CID 134328701) is tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(O)C2CC3CCC2C3)n1.
What is the InChIKey of tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate?
The InChIKey is HSYWRJVVYYRFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)23-12-16-8-9-17(14-6-7-14)19(24-16)20(25)18-11-13-4-5-15(18)10-13/h8-9,13-15,18,20,25H,4-7,10-12H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 134328701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).