tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate

C15H20N2O2 — CID 46780854

IUPACtert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CCC1c1cccnc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h4-7,9,11,13H,8,10H2,1-3H3
InChIKeyUWAWGJPFWVBKFS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.32
Rot. Bonds1

About tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 46780854) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID46780854
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nametert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CCC1c1cccnc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h4-7,9,11,13H,8,10H2,1-3H3
InChIKeyUWAWGJPFWVBKFS-UHFFFAOYSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 46780854) is tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=CCC1c1cccnc1.
What is the InChIKey of tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UWAWGJPFWVBKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)19-14(18)17-10-5-4-8-13(17)12-7-6-9-16-11-12/h4-7,9,11,13H,8,10H2,1-3H3.
What are the key properties of tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 46780854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).