N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

C13H13N3O2 — CID 1481294

IUPACN-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1nn(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C13H13N3O2/c1-9-3-5-10(6-4-9)16-8-7-11(17)12(15-16)13(18)14-2/h3-8H,1-2H3,(H,14,18)
InChIKeyAMJBMBWKRGERJP-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.90
Rot. Bonds2

About N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 1481294) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID1481294
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1nn(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C13H13N3O2/c1-9-3-5-10(6-4-9)16-8-7-11(17)12(15-16)13(18)14-2/h3-8H,1-2H3,(H,14,18)
InChIKeyAMJBMBWKRGERJP-UHFFFAOYSA-N
XLogP0.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 1481294) is N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is CNC(=O)c1nn(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is AMJBMBWKRGERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-3-5-10(6-4-9)16-8-7-11(17)12(15-16)13(18)14-2/h3-8H,1-2H3,(H,14,18).
What are the key properties of N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 1481294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).