ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate

C27H30N2O7 — CID 23178725

IUPACethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate
SMILESCCOC(=O)CCn1ccc(=O)c(OC(=O)CCn2ccc(=O)c(OCc3ccccc3)c2C)c1C
InChIInChI=1S/C27H30N2O7/c1-4-34-24(32)12-16-29-15-11-23(31)27(20(29)3)36-25(33)13-17-28-14-10-22(30)26(19(28)2)35-18-21-8-6-5-7-9-21/h5-11,14-15H,4,12-13,16-18H2,1-3H3
InChIKeyDRJLJEQUMBVMEG-UHFFFAOYSA-N
MW494.54 g/mol
LogP3.15
Rot. Bonds11

About ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate

ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate (PubChem CID 23178725) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate
PubChem CID23178725
Molecular FormulaC27H30N2O7
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC Nameethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate
SMILESCCOC(=O)CCn1ccc(=O)c(OC(=O)CCn2ccc(=O)c(OCc3ccccc3)c2C)c1C
InChIInChI=1S/C27H30N2O7/c1-4-34-24(32)12-16-29-15-11-23(31)27(20(29)3)36-25(33)13-17-28-14-10-22(30)26(19(28)2)35-18-21-8-6-5-7-9-21/h5-11,14-15H,4,12-13,16-18H2,1-3H3
InChIKeyDRJLJEQUMBVMEG-UHFFFAOYSA-N
XLogP3.15
TPSA105.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate (CID 23178725) is ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate is CCOC(=O)CCn1ccc(=O)c(OC(=O)CCn2ccc(=O)c(OCc3ccccc3)c2C)c1C.
What is the InChIKey of ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate?
The InChIKey is DRJLJEQUMBVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-4-34-24(32)12-16-29-15-11-23(31)27(20(29)3)36-25(33)13-17-28-14-10-22(30)26(19(28)2)35-18-21-8-6-5-7-9-21/h5-11,14-15H,4,12-13,16-18H2,1-3H3.
What are the key properties of ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate?
ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate has a molecular weight of 494.54 g/mol, XLogP of 3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methyl-3-[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoyloxy]-4-oxo-1-pyridinyl]propanoate is sourced from PubChem (CID 23178725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).