(2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate

C28H26N4O5 — CID 11713029

IUPAC(2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cnccc2C)c1=O
InChIInChI=1S/C28H26N4O5/c1-3-32-27(34)26(30-22-16-29-15-14-19(22)2)24(25(31-32)21-12-8-5-9-13-21)28(35)37-18-23(33)36-17-20-10-6-4-7-11-20/h4-16,30H,3,17-18H2,1-2H3
InChIKeyAKHXMFZFFVBCGB-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.28
Rot. Bonds9

About (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate

(2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate (PubChem CID 11713029) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
PubChem CID11713029
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name(2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate
SMILESCCn1nc(-c2ccccc2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cnccc2C)c1=O
InChIInChI=1S/C28H26N4O5/c1-3-32-27(34)26(30-22-16-29-15-14-19(22)2)24(25(31-32)21-12-8-5-9-13-21)28(35)37-18-23(33)36-17-20-10-6-4-7-11-20/h4-16,30H,3,17-18H2,1-2H3
InChIKeyAKHXMFZFFVBCGB-UHFFFAOYSA-N
XLogP4.28
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate?
The IUPAC name of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate (CID 11713029) is (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate.
What is the SMILES notation for (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate?
The canonical SMILES for (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate is CCn1nc(-c2ccccc2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cnccc2C)c1=O.
What is the InChIKey of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate?
The InChIKey is AKHXMFZFFVBCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-3-32-27(34)26(30-22-16-29-15-14-19(22)2)24(25(31-32)21-12-8-5-9-13-21)28(35)37-18-23(33)36-17-20-10-6-4-7-11-20/h4-16,30H,3,17-18H2,1-2H3.
What are the key properties of (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate?
(2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate has a molecular weight of 498.54 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-[(4-methyl-3-pyridinyl)amino]-6-oxo-3-phenylpyridazine-4-carboxylate is sourced from PubChem (CID 11713029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).