tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate

C17H25F2N3O3 — CID 156651965

IUPACtert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1nc(N)ccc1C1CCOC1)CC(F)F
InChIInChI=1S/C17H25F2N3O3/c1-17(2,3)25-16(23)22(9-14(18)19)8-13-12(4-5-15(20)21-13)11-6-7-24-10-11/h4-5,11,14H,6-10H2,1-3H3,(H2,20,21)
InChIKeyUFIJWZFZWSIXFX-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate

tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate (PubChem CID 156651965) has the molecular formula C17H25F2N3O3 and a molecular weight of 357.40 g/mol. Its IUPAC name is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate
PubChem CID156651965
Molecular FormulaC17H25F2N3O3
Molecular Weight357.40 g/mol
Exact Mass357.19
IUPAC Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1nc(N)ccc1C1CCOC1)CC(F)F
InChIInChI=1S/C17H25F2N3O3/c1-17(2,3)25-16(23)22(9-14(18)19)8-13-12(4-5-15(20)21-13)11-6-7-24-10-11/h4-5,11,14H,6-10H2,1-3H3,(H2,20,21)
InChIKeyUFIJWZFZWSIXFX-UHFFFAOYSA-N
XLogP3.17
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate?
The IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate (CID 156651965) is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate is CC(C)(C)OC(=O)N(Cc1nc(N)ccc1C1CCOC1)CC(F)F.
What is the InChIKey of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate?
The InChIKey is UFIJWZFZWSIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O3/c1-17(2,3)25-16(23)22(9-14(18)19)8-13-12(4-5-15(20)21-13)11-6-7-24-10-11/h4-5,11,14H,6-10H2,1-3H3,(H2,20,21).
What are the key properties of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate?
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate has a molecular weight of 357.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate is sourced from PubChem (CID 156651965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).