N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide

C13H15N3O2 — CID 2124869

IUPACN-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
SMILESCCc1ccccc1NC(=O)C1=CCC(=O)NN1
InChIInChI=1S/C13H15N3O2/c1-2-9-5-3-4-6-10(9)14-13(18)11-7-8-12(17)16-15-11/h3-7,15H,2,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyJOEJGARXODAUSY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.10
Rot. Bonds3

About N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide

N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide (PubChem CID 2124869) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
PubChem CID2124869
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
SMILESCCc1ccccc1NC(=O)C1=CCC(=O)NN1
InChIInChI=1S/C13H15N3O2/c1-2-9-5-3-4-6-10(9)14-13(18)11-7-8-12(17)16-15-11/h3-7,15H,2,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyJOEJGARXODAUSY-UHFFFAOYSA-N
XLogP1.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110857692
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide (CID 2124869) is N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide is CCc1ccccc1NC(=O)C1=CCC(=O)NN1.
What is the InChIKey of N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
The InChIKey is JOEJGARXODAUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-9-5-3-4-6-10(9)14-13(18)11-7-8-12(17)16-15-11/h3-7,15H,2,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide is sourced from PubChem (CID 2124869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).