N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C14H17N3O2 — CID 27286548

IUPACN-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C14H17N3O2/c1-3-10-6-4-5-7-11(10)15-14(19)12-8-9-13(18)17(2)16-12/h4-7H,3,8-9H2,1-2H3,(H,15,19)
InChIKeyMEZSAIFSSLMXEV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds3

About N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 27286548) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID27286548
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C14H17N3O2/c1-3-10-6-4-5-7-11(10)15-14(19)12-8-9-13(18)17(2)16-12/h4-7H,3,8-9H2,1-2H3,(H,15,19)
InChIKeyMEZSAIFSSLMXEV-UHFFFAOYSA-N
XLogP1.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 27286548) is N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCc1ccccc1NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is MEZSAIFSSLMXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10-6-4-5-7-11(10)15-14(19)12-8-9-13(18)17(2)16-12/h4-7H,3,8-9H2,1-2H3,(H,15,19).
What are the key properties of N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 27286548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).