3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide

C12H9Cl2N3O2 — CID 69217820

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C12H9Cl2N3O2/c13-8-3-1-7(2-4-8)6-15-11(18)9-5-10(14)16-17-12(9)19/h1-5H,6H2,(H,15,18)(H,17,19)
InChIKeyKRIHVCSRNOLUAB-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.01
Rot. Bonds3

About 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide

3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 69217820) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID69217820
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C12H9Cl2N3O2/c13-8-3-1-7(2-4-8)6-15-11(18)9-5-10(14)16-17-12(9)19/h1-5H,6H2,(H,15,18)(H,17,19)
InChIKeyKRIHVCSRNOLUAB-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745
(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl) N-[(4-chlorophenyl)methyl]carbamate
CID 69364831
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide (CID 69217820) is 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(Cl)n[nH]c1=O.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is KRIHVCSRNOLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-8-3-1-7(2-4-8)6-15-11(18)9-5-10(14)16-17-12(9)19/h1-5H,6H2,(H,15,18)(H,17,19).
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide?
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 69217820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).