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

C16H22N2O3 — CID 59402379

IUPACtert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCn1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-6-12(7-10-18)13-5-8-17(4)14(19)11-13/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyWZYUMCXIKNIDLC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.41
Rot. Bonds1

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

tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59402379) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59402379
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCn1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-6-12(7-10-18)13-5-8-17(4)14(19)11-13/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyWZYUMCXIKNIDLC-UHFFFAOYSA-N
XLogP2.41
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59402379) is tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate is Cn1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1=O.
What is the InChIKey of tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WZYUMCXIKNIDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-6-12(7-10-18)13-5-8-17(4)14(19)11-13/h5-6,8,11H,7,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methyl-2-oxo-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59402379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).