N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide

C19H16BrN3O2 — CID 31883996

IUPACN-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H16BrN3O2/c1-22(13-14-7-9-15(20)10-8-14)19(25)17-11-12-18(24)23(21-17)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyJQYSIJBJIHEHMB-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.27
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31883996) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31883996
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C19H16BrN3O2/c1-22(13-14-7-9-15(20)10-8-14)19(25)17-11-12-18(24)23(21-17)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyJQYSIJBJIHEHMB-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
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
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
N-[(5-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 55630714
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 86859455
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31883996) is N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is JQYSIJBJIHEHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-22(13-14-7-9-15(20)10-8-14)19(25)17-11-12-18(24)23(21-17)16-5-3-2-4-6-16/h2-12H,13H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31883996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).