N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H15N3O3 — CID 22107791

IUPACN-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-19-10-5-3-9(4-6-10)14-13(18)11-7-8-12(17)16-15-11/h3-6H,2,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyKXMFTLXZCFNAIY-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.29
Rot. Bonds4

About N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 22107791) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID22107791
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-19-10-5-3-9(4-6-10)14-13(18)11-7-8-12(17)16-15-11/h3-6H,2,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyKXMFTLXZCFNAIY-UHFFFAOYSA-N
XLogP1.29
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3661390
N-naphthalen-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3328290
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3829150
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7194863
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600672

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 22107791) is N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCOc1ccc(NC(=O)C2=NNC(=O)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is KXMFTLXZCFNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-10-5-3-9(4-6-10)14-13(18)11-7-8-12(17)16-15-11/h3-6H,2,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 22107791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).