N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H12N4O2 — CID 55141978

IUPACN-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(C(=O)C1=NNC(=O)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C13H12N4O2/c1-17(10-4-2-9(8-14)3-5-10)13(19)11-6-7-12(18)16-15-11/h2-5H,6-7H2,1H3,(H,16,18)
InChIKeyQLXABGAWVFCOOK-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.79
Rot. Bonds2

About N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 55141978) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID55141978
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(C(=O)C1=NNC(=O)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C13H12N4O2/c1-17(10-4-2-9(8-14)3-5-10)13(19)11-6-7-12(18)16-15-11/h2-5H,6-7H2,1H3,(H,16,18)
InChIKeyQLXABGAWVFCOOK-UHFFFAOYSA-N
XLogP0.79
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211340
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981263
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60958688
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 62819186
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 55141978) is N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(C(=O)C1=NNC(=O)CC1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is QLXABGAWVFCOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17(10-4-2-9(8-14)3-5-10)13(19)11-6-7-12(18)16-15-11/h2-5H,6-7H2,1H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 55141978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).