N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C20H18N4O4 — CID 26012508

IUPACN-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1
InChIInChI=1S/C20H18N4O4/c21-19(26)14-6-8-15(9-7-14)22-20(27)17-10-11-18(25)24(23-17)12-13-28-16-4-2-1-3-5-16/h1-11H,12-13H2,(H2,21,26)(H,22,27)
InChIKeyMIAMOMHRURYPSQ-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.67
Rot. Bonds7

About N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 26012508) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID26012508
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1
InChIInChI=1S/C20H18N4O4/c21-19(26)14-6-8-15(9-7-14)22-20(27)17-10-11-18(25)24(23-17)12-13-28-16-4-2-1-3-5-16/h1-11H,12-13H2,(H2,21,26)(H,22,27)
InChIKeyMIAMOMHRURYPSQ-UHFFFAOYSA-N
XLogP1.67
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26719395
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328
N-[4-(1H-benzimidazol-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46628844
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46628797

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 26012508) is N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is NC(=O)c1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is MIAMOMHRURYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-19(26)14-6-8-15(9-7-14)22-20(27)17-10-11-18(25)24(23-17)12-13-28-16-4-2-1-3-5-16/h1-11H,12-13H2,(H2,21,26)(H,22,27).
What are the key properties of N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 26012508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).