N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C16H11ClN4O2 — CID 91642770

IUPACN-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN4O2/c17-11-8-9-18-14(10-11)19-16(23)13-6-7-15(22)21(20-13)12-4-2-1-3-5-12/h1-10H,(H,18,19,23)
InChIKeyLYKOJVRIRHZPJC-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.53
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 91642770) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID91642770
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC NameN-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H11ClN4O2/c17-11-8-9-18-14(10-11)19-16(23)13-6-7-15(22)21(20-13)12-4-2-1-3-5-12/h1-10H,(H,18,19,23)
InChIKeyLYKOJVRIRHZPJC-UHFFFAOYSA-N
XLogP2.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31979037
N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31903731
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
6-oxo-1-phenyl-N-(3-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 55766207
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51949577
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 37401680
N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 52572154
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 91642770) is N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide is O=C(Nc1cc(Cl)ccn1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is LYKOJVRIRHZPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-11-8-9-18-14(10-11)19-16(23)13-6-7-15(22)21(20-13)12-4-2-1-3-5-12/h1-10H,(H,18,19,23).
What are the key properties of N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 326.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 91642770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).