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

C14H16ClN3O2 — CID 24543977

IUPACN-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-9(10-5-3-4-6-11(10)15)16-14(20)12-7-8-13(19)18(2)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)
InChIKeyBNYYGXXMCPJPCK-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.13
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24543977) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24543977
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-9(10-5-3-4-6-11(10)15)16-14(20)12-7-8-13(19)18(2)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)
InChIKeyBNYYGXXMCPJPCK-UHFFFAOYSA-N
XLogP2.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24543977) is N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BNYYGXXMCPJPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(10-5-3-4-6-11(10)15)16-14(20)12-7-8-13(19)18(2)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24543977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).