N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide

C13H12FN3O2 — CID 90289793

IUPACN-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)nn1
InChIInChI=1S/C13H12FN3O2/c1-8-7-9(3-4-10(8)14)15-13(18)11-5-6-12(19-2)17-16-11/h3-7H,1-2H3,(H,15,18)
InChIKeyGJIVWJZNDOSKBZ-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.19
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide

N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide (PubChem CID 90289793) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide
PubChem CID90289793
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)nn1
InChIInChI=1S/C13H12FN3O2/c1-8-7-9(3-4-10(8)14)15-13(18)11-5-6-12(19-2)17-16-11/h3-7H,1-2H3,(H,15,18)
InChIKeyGJIVWJZNDOSKBZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide (CID 90289793) is N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(F)c(C)c2)nn1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide?
The InChIKey is GJIVWJZNDOSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8-7-9(3-4-10(8)14)15-13(18)11-5-6-12(19-2)17-16-11/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 90289793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).