ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate

C18H21NO4 — CID 54694325

IUPACethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate
SMILESCCCn1c(C)c(C(=O)OCC)c(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C18H21NO4/c1-4-11-19-12(3)14(18(22)23-5-2)16(20)15(17(19)21)13-9-7-6-8-10-13/h6-10,20H,4-5,11H2,1-3H3
InChIKeyANVQNIVPZWXYHV-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.12
Rot. Bonds5

About ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate

ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate (PubChem CID 54694325) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate
PubChem CID54694325
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate
SMILESCCCn1c(C)c(C(=O)OCC)c(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C18H21NO4/c1-4-11-19-12(3)14(18(22)23-5-2)16(20)15(17(19)21)13-9-7-6-8-10-13/h6-10,20H,4-5,11H2,1-3H3
InChIKeyANVQNIVPZWXYHV-UHFFFAOYSA-N
XLogP3.12
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate (CID 54694325) is ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate is CCCn1c(C)c(C(=O)OCC)c(O)c(-c2ccccc2)c1=O.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate?
The InChIKey is ANVQNIVPZWXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-11-19-12(3)14(18(22)23-5-2)16(20)15(17(19)21)13-9-7-6-8-10-13/h6-10,20H,4-5,11H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate?
ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propylpyridine-3-carboxylate is sourced from PubChem (CID 54694325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).