1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide

C12H12N4O2 — CID 42390725

IUPAC1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(C)n2)n1
InChIInChI=1S/C12H12N4O2/c1-8-4-3-5-10(13-8)14-12(18)9-6-7-11(17)16(2)15-9/h3-7H,1-2H3,(H,13,14,18)
InChIKeyMKDKSBGYNVQMDF-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.74
Rot. Bonds2

About 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide

1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide (PubChem CID 42390725) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
PubChem CID42390725
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(C)n2)n1
InChIInChI=1S/C12H12N4O2/c1-8-4-3-5-10(13-8)14-12(18)9-6-7-11(17)16(2)15-9/h3-7H,1-2H3,(H,13,14,18)
InChIKeyMKDKSBGYNVQMDF-UHFFFAOYSA-N
XLogP0.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-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 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide (CID 42390725) is 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)n(C)n2)n1.
What is the InChIKey of 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MKDKSBGYNVQMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-4-3-5-10(13-8)14-12(18)9-6-7-11(17)16(2)15-9/h3-7H,1-2H3,(H,13,14,18).
What are the key properties of 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42390725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).