N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

C13H13N3O2 — CID 32736896

IUPACN-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H13N3O2/c1-2-9-4-3-5-10(8-9)14-13(18)11-6-7-12(17)16-15-11/h3-8H,2H2,1H3,(H,14,18)(H,16,17)
InChIKeyKQBZPQNJPOJMDN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.58
Rot. Bonds3

About N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 32736896) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID32736896
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H13N3O2/c1-2-9-4-3-5-10(8-9)14-13(18)11-6-7-12(17)16-15-11/h3-8H,2H2,1H3,(H,14,18)(H,16,17)
InChIKeyKQBZPQNJPOJMDN-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71935987
5-(aminomethyl)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 55230586
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
tert-butyl N-[3-oxo-3-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]anilino]propyl]carbamate
CID 108920072
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 32736896) is N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is CCc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KQBZPQNJPOJMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-9-4-3-5-10(8-9)14-13(18)11-6-7-12(17)16-15-11/h3-8H,2H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 32736896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).