1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H23N3O2 — CID 38041767

IUPAC1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(2)11-15(13-7-5-4-6-8-13)18-17(22)14-9-10-16(21)20(3)19-14/h4-8,12,15H,9-11H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyKXTPYRRPZOQBMW-OAHLLOKOSA-N
MW301.39 g/mol
LogP2.50
Rot. Bonds5

About 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 38041767) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID38041767
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(2)11-15(13-7-5-4-6-8-13)18-17(22)14-9-10-16(21)20(3)19-14/h4-8,12,15H,9-11H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyKXTPYRRPZOQBMW-OAHLLOKOSA-N
XLogP2.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 38041767) is 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(C)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1.
What is the InChIKey of 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KXTPYRRPZOQBMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)11-15(13-7-5-4-6-8-13)18-17(22)14-9-10-16(21)20(3)19-14/h4-8,12,15H,9-11H2,1-3H3,(H,18,22)/t15-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 38041767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).