N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H14N4O2 — CID 110664185

IUPACN-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(C(C#N)NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H14N4O2/c1-9-2-4-10(5-3-9)12(8-15)16-14(20)11-6-7-13(19)18-17-11/h2-5,12H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyORBHZBCUQFTOLP-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110664185) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110664185
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(C(C#N)NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C14H14N4O2/c1-9-2-4-10(5-3-9)12(8-15)16-14(20)11-6-7-13(19)18-17-11/h2-5,12H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyORBHZBCUQFTOLP-UHFFFAOYSA-N
XLogP0.94
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110664185) is N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1ccc(C(C#N)NC(=O)C2=NNC(=O)CC2)cc1.
What is the InChIKey of N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ORBHZBCUQFTOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-2-4-10(5-3-9)12(8-15)16-14(20)11-6-7-13(19)18-17-11/h2-5,12H,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110664185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).