2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide

C15H18N4O2 — CID 71598231

IUPAC2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C(\C)c2ccccc2)C(=O)CC1
InChIInChI=1S/C15H18N4O2/c1-11-8-9-15(21)19(18-11)10-14(20)17-16-12(2)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)/b16-12+
InChIKeyCCTJDTCPKWZARB-FOWTUZBSSA-N
MW286.33 g/mol
LogP1.53
Rot. Bonds4

About 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide (PubChem CID 71598231) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
PubChem CID71598231
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESCC1=NN(CC(=O)N/N=C(\C)c2ccccc2)C(=O)CC1
InChIInChI=1S/C15H18N4O2/c1-11-8-9-15(21)19(18-11)10-14(20)17-16-12(2)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)/b16-12+
InChIKeyCCTJDTCPKWZARB-FOWTUZBSSA-N
XLogP1.53
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 145131523
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 44722878
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide
CID 6273255

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide (CID 71598231) is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide is CC1=NN(CC(=O)N/N=C(\C)c2ccccc2)C(=O)CC1.
What is the InChIKey of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
The InChIKey is CCTJDTCPKWZARB-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-8-9-15(21)19(18-11)10-14(20)17-16-12(2)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)/b16-12+.
What are the key properties of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide?
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-[(E)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 71598231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).