N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H14ClN3O3 — CID 110793485

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H14ClN3O3/c1-20-11-4-2-9(14)6-8(11)7-15-13(19)10-3-5-12(18)17-16-10/h2,4,6H,3,5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyHLZQVIKZFHWTHN-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.23
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110793485) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110793485
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H14ClN3O3/c1-20-11-4-2-9(14)6-8(11)7-15-13(19)10-3-5-12(18)17-16-10/h2,4,6H,3,5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyHLZQVIKZFHWTHN-UHFFFAOYSA-N
XLogP1.23
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-acetamido-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794427
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795331
6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146025493
N-(4-methoxy-3-propan-2-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110792592
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786211
N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
CID 167835973
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
3-[(5-chloro-2-methoxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 166249845

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110793485) is N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1ccc(Cl)cc1CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HLZQVIKZFHWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-20-11-4-2-9(14)6-8(11)7-15-13(19)10-3-5-12(18)17-16-10/h2,4,6H,3,5,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).