N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C23H24N4O5 — CID 34870934

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O5/c1-2-24-21(28)16-32-19-10-6-7-17(15-19)25-23(30)20-11-12-22(29)27(26-20)13-14-31-18-8-4-3-5-9-18/h3-12,15H,2,13-14,16H2,1H3,(H,24,28)(H,25,30)
InChIKeyFLFGQQMSTHATJK-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.09
Rot. Bonds10

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 34870934) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID34870934
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O5/c1-2-24-21(28)16-32-19-10-6-7-17(15-19)25-23(30)20-11-12-22(29)27(26-20)13-14-31-18-8-4-3-5-9-18/h3-12,15H,2,13-14,16H2,1H3,(H,24,28)(H,25,30)
InChIKeyFLFGQQMSTHATJK-UHFFFAOYSA-N
XLogP2.09
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26719395
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55956780
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 34870934) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CCNC(=O)COc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is FLFGQQMSTHATJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-24-21(28)16-32-19-10-6-7-17(15-19)25-23(30)20-11-12-22(29)27(26-20)13-14-31-18-8-4-3-5-9-18/h3-12,15H,2,13-14,16H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 34870934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).