ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate

C18H20N2O4 — CID 685943

IUPACethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C18H20N2O4/c1-4-24-18(23)15-10-14(12(3)20-17(15)22)16(21)19-11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)/t11-/m0/s1
InChIKeyFRPCGQFHTCYOCQ-NSHDSACASA-N
MW328.37 g/mol
LogP2.35
Rot. Bonds5

About ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate

ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate (PubChem CID 685943) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate
PubChem CID685943
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)[nH]c1=O
InChIInChI=1S/C18H20N2O4/c1-4-24-18(23)15-10-14(12(3)20-17(15)22)16(21)19-11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)/t11-/m0/s1
InChIKeyFRPCGQFHTCYOCQ-NSHDSACASA-N
XLogP2.35
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate (CID 685943) is ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)[nH]c1=O.
What is the InChIKey of ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate?
The InChIKey is FRPCGQFHTCYOCQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-24-18(23)15-10-14(12(3)20-17(15)22)16(21)19-11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)/t11-/m0/s1.
What are the key properties of ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate?
ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-5-[[(1S)-1-phenylethyl]carbamoyl]-1H-pyridine-3-carboxylate is sourced from PubChem (CID 685943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).