N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H22N4O3 — CID 86835504

IUPACN-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C17H22N4O3/c1-4-21(5-2)17(24)12-8-6-7-9-13(12)18-16(23)14-10-11-15(22)20(3)19-14/h6-9H,4-5,10-11H2,1-3H3,(H,18,23)
InChIKeyHTCYUHQPAVVOFE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 86835504) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID86835504
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C17H22N4O3/c1-4-21(5-2)17(24)12-8-6-7-9-13(12)18-16(23)14-10-11-15(22)20(3)19-14/h6-9H,4-5,10-11H2,1-3H3,(H,18,23)
InChIKeyHTCYUHQPAVVOFE-UHFFFAOYSA-N
XLogP1.72
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 51090865
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 126785061
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168609753
N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51075316
N,N-diethyl-2-(propylamino)benzamide
CID 62171276

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 86835504) is N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCN(CC)C(=O)c1ccccc1NC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HTCYUHQPAVVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-21(5-2)17(24)12-8-6-7-9-13(12)18-16(23)14-10-11-15(22)20(3)19-14/h6-9H,4-5,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 86835504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).