N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C21H24N4O4 — CID 46528871

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccco1
InChIInChI=1S/C21H24N4O4/c1-24(2)18(19-9-6-13-29-19)15-22-21(27)17-10-11-20(26)25(23-17)12-14-28-16-7-4-3-5-8-16/h3-11,13,18H,12,14-15H2,1-2H3,(H,22,27)
InChIKeyUEIGFLQIRSAPCU-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 46528871) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID46528871
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccco1
InChIInChI=1S/C21H24N4O4/c1-24(2)18(19-9-6-13-29-19)15-22-21(27)17-10-11-20(26)25(23-17)12-14-28-16-7-4-3-5-8-16/h3-11,13,18H,12,14-15H2,1-2H3,(H,22,27)
InChIKeyUEIGFLQIRSAPCU-UHFFFAOYSA-N
XLogP1.95
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 46528871) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CN(C)C(CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is UEIGFLQIRSAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-24(2)18(19-9-6-13-29-19)15-22-21(27)17-10-11-20(26)25(23-17)12-14-28-16-7-4-3-5-8-16/h3-11,13,18H,12,14-15H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 46528871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).