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

C12H10FN3O2 — CID 4780429

IUPACN-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2F)ccc1=O
InChIInChI=1S/C12H10FN3O2/c1-16-11(17)7-6-10(15-16)12(18)14-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,18)
InChIKeyPNHQEKZEACVIJP-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.17
Rot. Bonds2

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

N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 4780429) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID4780429
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2F)ccc1=O
InChIInChI=1S/C12H10FN3O2/c1-16-11(17)7-6-10(15-16)12(18)14-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,18)
InChIKeyPNHQEKZEACVIJP-UHFFFAOYSA-N
XLogP1.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 4780429) is N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2F)ccc1=O.
What is the InChIKey of N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is PNHQEKZEACVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-16-11(17)7-6-10(15-16)12(18)14-9-5-3-2-4-8(9)13/h2-7H,1H3,(H,14,18).
What are the key properties of N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 4780429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).