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

C12H11Cl2N3O2 — CID 34802438

IUPACN-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1=O
InChIInChI=1S/C12H11Cl2N3O2/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H,15,19)
InChIKeyJIJWZQRUWIIJEB-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.54
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 34802438) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID34802438
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1=O
InChIInChI=1S/C12H11Cl2N3O2/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H,15,19)
InChIKeyJIJWZQRUWIIJEB-UHFFFAOYSA-N
XLogP2.54
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[4-(methylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24524831
1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4877035
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24575694
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
2-methyl-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 119254235
N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55947174
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30710454
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42315406
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 34802438) is N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(Cl)c(Cl)c2)CCC1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JIJWZQRUWIIJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-8(13)9(14)6-7/h2-3,6H,4-5H2,1H3,(H,15,19).
What are the key properties of N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 300.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 34802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).