N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H11Cl2N3O3 — CID 110792906

IUPACN-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1c(Cl)cc(Cl)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H11Cl2N3O3/c1-20-11-7(14)4-6(13)5-9(11)15-12(19)8-2-3-10(18)17-16-8/h4-5H,2-3H2,1H3,(H,15,19)(H,17,18)
InChIKeyUULGYVBRQWSYJO-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.21
Rot. Bonds3

About N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110792906) has the molecular formula C12H11Cl2N3O3 and a molecular weight of 316.14 g/mol. Its IUPAC name is N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110792906
Molecular FormulaC12H11Cl2N3O3
Molecular Weight316.14 g/mol
Exact Mass315.02
IUPAC NameN-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1c(Cl)cc(Cl)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H11Cl2N3O3/c1-20-11-7(14)4-6(13)5-9(11)15-12(19)8-2-3-10(18)17-16-8/h4-5H,2-3H2,1H3,(H,15,19)(H,17,18)
InChIKeyUULGYVBRQWSYJO-UHFFFAOYSA-N
XLogP2.21
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate
CID 60630600
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795721
N-(5-carbamoyl-2-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273727
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582884
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273589
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]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110792906) is N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1c(Cl)cc(Cl)cc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UULGYVBRQWSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O3/c1-20-11-7(14)4-6(13)5-9(11)15-12(19)8-2-3-10(18)17-16-8/h4-5H,2-3H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 316.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110792906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).