ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate

C20H23N3O4 — CID 16896977

IUPACethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C20H23N3O4/c1-2-27-20(26)19-16(21-17(24)12-14-8-6-7-9-14)13-18(25)23(22-19)15-10-4-3-5-11-15/h3-5,10-11,13-14H,2,6-9,12H2,1H3,(H,21,24)
InChIKeyXXYJAQCIPOFIFU-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.93
Rot. Bonds6

About ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate

ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 16896977) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID16896977
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nameethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C20H23N3O4/c1-2-27-20(26)19-16(21-17(24)12-14-8-6-7-9-14)13-18(25)23(22-19)15-10-4-3-5-11-15/h3-5,10-11,13-14H,2,6-9,12H2,1H3,(H,21,24)
InChIKeyXXYJAQCIPOFIFU-UHFFFAOYSA-N
XLogP2.93
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate (CID 16896977) is ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)CC1CCCC1.
What is the InChIKey of ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is XXYJAQCIPOFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-27-20(26)19-16(21-17(24)12-14-8-6-7-9-14)13-18(25)23(22-19)15-10-4-3-5-11-15/h3-5,10-11,13-14H,2,6-9,12H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate?
ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-cyclopentylacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 16896977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).