N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide

C12H10Cl2N4O2 — CID 47111526

IUPACN-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O
InChIInChI=1S/C12H10Cl2N4O2/c1-18-10(19)3-2-9(17-18)12(20)16-6-4-7(13)11(15)8(14)5-6/h2-5H,15H2,1H3,(H,16,20)
InChIKeyLACGIGKNSYIBEW-UHFFFAOYSA-N
MW313.14 g/mol
LogP1.92
Rot. Bonds2

About N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 47111526) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID47111526
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O
InChIInChI=1S/C12H10Cl2N4O2/c1-18-10(19)3-2-9(17-18)12(20)16-6-4-7(13)11(15)8(14)5-6/h2-5H,15H2,1H3,(H,16,20)
InChIKeyLACGIGKNSYIBEW-UHFFFAOYSA-N
XLogP1.92
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55727357
2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 39042283
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 82832923
N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150164
5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 43172077
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 47111526) is N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)ccc1=O.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is LACGIGKNSYIBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-18-10(19)3-2-9(17-18)12(20)16-6-4-7(13)11(15)8(14)5-6/h2-5H,15H2,1H3,(H,16,20).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47111526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).