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

C15H19N3O2 — CID 52823629

IUPAC1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2=NN(C)C(=O)CC2)c1
InChIInChI=1S/C15H19N3O2/c1-11-4-3-5-12(10-11)8-9-16-15(20)13-6-7-14(19)18(2)17-13/h3-5,10H,6-9H2,1-2H3,(H,16,20)
InChIKeyVGPLWBVIICMMKP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds4

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

1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 52823629) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID52823629
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2=NN(C)C(=O)CC2)c1
InChIInChI=1S/C15H19N3O2/c1-11-4-3-5-12(10-11)8-9-16-15(20)13-6-7-14(19)18(2)17-13/h3-5,10H,6-9H2,1-2H3,(H,16,20)
InChIKeyVGPLWBVIICMMKP-UHFFFAOYSA-N
XLogP1.26
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 52823629) is 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(CCNC(=O)C2=NN(C)C(=O)CC2)c1.
What is the InChIKey of 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VGPLWBVIICMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-3-5-12(10-11)8-9-16-15(20)13-6-7-14(19)18(2)17-13/h3-5,10H,6-9H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 52823629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).