N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C18H16N4O2 — CID 78852401

IUPACN-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c1-21(13-14-6-5-11-19-12-14)18(24)16-9-10-17(23)22(20-16)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyYKSLGCJOSPZABU-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 78852401) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID78852401
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c1-21(13-14-6-5-11-19-12-14)18(24)16-9-10-17(23)22(20-16)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyYKSLGCJOSPZABU-UHFFFAOYSA-N
XLogP1.90
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31899986
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 43563869
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
N-methyl-6-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-phenylpyridazine-3-carboxamide
CID 137287046
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 78852401) is N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is CN(Cc1cccnc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is YKSLGCJOSPZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-21(13-14-6-5-11-19-12-14)18(24)16-9-10-17(23)22(20-16)15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 78852401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).