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

C14H17N3O2 — CID 24540154

IUPAC1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2ccccc2)CCC1=O
InChIInChI=1S/C14H17N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)
InChIKeySMJFJJVRHDSHOE-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.95
Rot. Bonds4

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

1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24540154) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID24540154
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2ccccc2)CCC1=O
InChIInChI=1S/C14H17N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)
InChIKeySMJFJJVRHDSHOE-UHFFFAOYSA-N
XLogP0.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24547280
N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46516631
N-(3-benzylsulfonylpropyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55841818
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24628335
1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24552976
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 80539041
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 94174293
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767
6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 30525594
N-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24553318

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide (CID 24540154) is 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCCc2ccccc2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is SMJFJJVRHDSHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-13(18)8-7-12(16-17)14(19)15-10-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19).
What are the key properties of 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24540154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).