tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate

C15H21N3O2 — CID 137425775

IUPACtert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(c2ccc(N)nc2)CCC1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-8-4-5-12(10-18)11-6-7-13(16)17-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,17)
InChIKeyYYEIPFIHSYCXGF-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.04
Rot. Bonds1

About tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 137425775) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID137425775
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(c2ccc(N)nc2)CCC1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-8-4-5-12(10-18)11-6-7-13(16)17-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,17)
InChIKeyYYEIPFIHSYCXGF-UHFFFAOYSA-N
XLogP3.04
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 137425775) is tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C=C(c2ccc(N)nc2)CCC1.
What is the InChIKey of tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YYEIPFIHSYCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-8-4-5-12(10-18)11-6-7-13(16)17-9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,17).
What are the key properties of tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 137425775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).