ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate

C31H36N4O10 — CID 54695401

IUPACethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)[nH]c(=O)c(C(c2ccccc2)c2c(O)c(C(=O)OCC)c(N3CCOCC3)[nH]c2=O)c1O
InChIInChI=1S/C31H36N4O10/c1-3-44-30(40)22-24(36)20(28(38)32-26(22)34-10-14-42-15-11-34)19(18-8-6-5-7-9-18)21-25(37)23(31(41)45-4-2)27(33-29(21)39)35-12-16-43-17-13-35/h5-9,19H,3-4,10-17H2,1-2H3,(H2,32,36,38)(H2,33,37,39)
InChIKeyDYVGMZHDTGFHQI-UHFFFAOYSA-N
MW624.65 g/mol
LogP1.68
Rot. Bonds9

About ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54695401) has the molecular formula C31H36N4O10 and a molecular weight of 624.65 g/mol. Its IUPAC name is ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID54695401
Molecular FormulaC31H36N4O10
Molecular Weight624.65 g/mol
Exact Mass624.24
IUPAC Nameethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)[nH]c(=O)c(C(c2ccccc2)c2c(O)c(C(=O)OCC)c(N3CCOCC3)[nH]c2=O)c1O
InChIInChI=1S/C31H36N4O10/c1-3-44-30(40)22-24(36)20(28(38)32-26(22)34-10-14-42-15-11-34)19(18-8-6-5-7-9-18)21-25(37)23(31(41)45-4-2)27(33-29(21)39)35-12-16-43-17-13-35/h5-9,19H,3-4,10-17H2,1-2H3,(H2,32,36,38)(H2,33,37,39)
InChIKeyDYVGMZHDTGFHQI-UHFFFAOYSA-N
XLogP1.68
TPSA183.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.65
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate (CID 54695401) is ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(N2CCOCC2)[nH]c(=O)c(C(c2ccccc2)c2c(O)c(C(=O)OCC)c(N3CCOCC3)[nH]c2=O)c1O.
What is the InChIKey of ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is DYVGMZHDTGFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O10/c1-3-44-30(40)22-24(36)20(28(38)32-26(22)34-10-14-42-15-11-34)19(18-8-6-5-7-9-18)21-25(37)23(31(41)45-4-2)27(33-29(21)39)35-12-16-43-17-13-35/h5-9,19H,3-4,10-17H2,1-2H3,(H2,32,36,38)(H2,33,37,39).
What are the key properties of ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 624.65 g/mol, XLogP of 1.68, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54695401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).