[2-(2,2-Dimethyl-propionylamino)-pyridin-3-yl]-carbamic Acid tert-Butyl Ester - CAS 1186311-23-8
Catalog: |
BB062989 |
Product Name: |
[2-(2,2-Dimethyl-propionylamino)-pyridin-3-yl]-carbamic Acid tert-Butyl Ester |
CAS: |
1186311-23-8 |
Synonyms: |
N-[2-[(2,2-Dimethyl-1-oxopropyl)amino]-3-pyridinyl]-1,1-dimethylethyl Ester Carbamic Acid |
IUPAC Name: | tert-butyl N-[2-(2,2-dimethylpropanoylamino)pyridin-3-yl]carbamate |
Description: | [2-(2,2-Dimethyl-propionylamino)-pyridin-3-yl]-carbamic Acid tert-Butyl Ester |
Molecular Weight: | 293.36 |
Molecular Formula: | C15H23N3O3 |
Canonical SMILES: | CC(C)(C)C(=O)NC1=C(C=CC=N1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H23N3O3/c1-14(2,3)12(19)18-11-10(8-7-9-16-11)17-13(20)21-15(4,5)6/h7-9H,1-6H3,(H,17,20)(H,16,18,19) |
InChI Key: | XYKDKZCRXCENOO-UHFFFAOYSA-N |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.1739416 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.1739416 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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