propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C14H17NO4 — CID 127033950

IUPACpropan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccco2)CC(=O)N1
InChIInChI=1S/C14H17NO4/c1-8(2)19-14(17)13-9(3)15-12(16)7-10(13)11-5-4-6-18-11/h4-6,8,10H,7H2,1-3H3,(H,15,16)
InChIKeyLOFXNUVIBPADGM-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.11
Rot. Bonds3

About propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 127033950) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID127033950
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namepropan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccco2)CC(=O)N1
InChIInChI=1S/C14H17NO4/c1-8(2)19-14(17)13-9(3)15-12(16)7-10(13)11-5-4-6-18-11/h4-6,8,10H,7H2,1-3H3,(H,15,16)
InChIKeyLOFXNUVIBPADGM-UHFFFAOYSA-N
XLogP2.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 127033950) is propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccco2)CC(=O)N1.
What is the InChIKey of propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is LOFXNUVIBPADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)19-14(17)13-9(3)15-12(16)7-10(13)11-5-4-6-18-11/h4-6,8,10H,7H2,1-3H3,(H,15,16).
What are the key properties of propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 127033950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).