N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H13Cl2N3O2 — CID 60960333

IUPACN-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H13Cl2N3O2/c1-18(7-8-4-9(14)6-10(15)5-8)13(20)11-2-3-12(19)17-16-11/h4-6H,2-3,7H2,1H3,(H,17,19)
InChIKeyHWNUJQUOHGNBIW-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.22
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60960333) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60960333
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H13Cl2N3O2/c1-18(7-8-4-9(14)6-10(15)5-8)13(20)11-2-3-12(19)17-16-11/h4-6H,2-3,7H2,1H3,(H,17,19)
InChIKeyHWNUJQUOHGNBIW-UHFFFAOYSA-N
XLogP2.22
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60960333) is N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HWNUJQUOHGNBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-18(7-8-4-9(14)6-10(15)5-8)13(20)11-2-3-12(19)17-16-11/h4-6H,2-3,7H2,1H3,(H,17,19).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60960333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).