N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

C9H5Cl2N5O2 — CID 114073335

IUPACN-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)nc(Cl)n1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H5Cl2N5O2/c10-5-3-6(14-9(11)12-5)13-8(18)4-1-2-7(17)16-15-4/h1-3H,(H,16,17)(H,12,13,14,18)
InChIKeyKBIMLEDINVGURG-UHFFFAOYSA-N
MW286.08 g/mol
LogP1.12
Rot. Bonds2

About N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 114073335) has the molecular formula C9H5Cl2N5O2 and a molecular weight of 286.08 g/mol. Its IUPAC name is N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID114073335
Molecular FormulaC9H5Cl2N5O2
Molecular Weight286.08 g/mol
Exact Mass284.98
IUPAC NameN-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)nc(Cl)n1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H5Cl2N5O2/c10-5-3-6(14-9(11)12-5)13-8(18)4-1-2-7(17)16-15-4/h1-3H,(H,16,17)(H,12,13,14,18)
InChIKeyKBIMLEDINVGURG-UHFFFAOYSA-N
XLogP1.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide
CID 114073603
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-(2,6-dichloropyrimidin-4-yl)-2-hydroxybenzamide
CID 114073527
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
CID 114073585
2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 116786621
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 114073335) is N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1cc(Cl)nc(Cl)n1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KBIMLEDINVGURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N5O2/c10-5-3-6(14-9(11)12-5)13-8(18)4-1-2-7(17)16-15-4/h1-3H,(H,16,17)(H,12,13,14,18).
What are the key properties of N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 286.08 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloropyrimidin-4-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 114073335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).