ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate

C22H30N4O5 — CID 54692673

IUPACethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C22H30N4O5/c1-4-31-22(29)25-10-8-24(9-11-25)20(17-6-5-7-23-15-17)19-18(27)14-16(2)26(21(19)28)12-13-30-3/h5-7,14-15,20,27H,4,8-13H2,1-3H3
InChIKeyBGPCJFSRSDSQRM-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.77
Rot. Bonds7

About ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate

ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate (PubChem CID 54692673) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate
PubChem CID54692673
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Nameethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C22H30N4O5/c1-4-31-22(29)25-10-8-24(9-11-25)20(17-6-5-7-23-15-17)19-18(27)14-16(2)26(21(19)28)12-13-30-3/h5-7,14-15,20,27H,4,8-13H2,1-3H3
InChIKeyBGPCJFSRSDSQRM-UHFFFAOYSA-N
XLogP1.77
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate (CID 54692673) is ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1.
What is the InChIKey of ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate?
The InChIKey is BGPCJFSRSDSQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-4-31-22(29)25-10-8-24(9-11-25)20(17-6-5-7-23-15-17)19-18(27)14-16(2)26(21(19)28)12-13-30-3/h5-7,14-15,20,27H,4,8-13H2,1-3H3.
What are the key properties of ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate?
ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-pyridin-3-ylmethyl]piperazine-1-carboxylate is sourced from PubChem (CID 54692673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).