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

C15H20N2O3 — CID 22128731

IUPACtert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-8-5-11(6-9-17)12-4-7-16-13(18)10-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,18)
InChIKeyCNNKSGBDNGDWMZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds1

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

tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 22128731) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID22128731
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-8-5-11(6-9-17)12-4-7-16-13(18)10-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,18)
InChIKeyCNNKSGBDNGDWMZ-UHFFFAOYSA-N
XLogP2.40
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 22128731) is tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CNNKSGBDNGDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-8-5-11(6-9-17)12-4-7-16-13(18)10-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1H-pyridin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 22128731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).