N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C13H12FN3O2 — CID 2542204

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H12FN3O2/c1-17-12(18)7-6-11(16-17)13(19)15-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,19)
InChIKeyAZUFFRJZBVEYSH-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.85
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 2542204) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID2542204
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C13H12FN3O2/c1-17-12(18)7-6-11(16-17)13(19)15-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,19)
InChIKeyAZUFFRJZBVEYSH-UHFFFAOYSA-N
XLogP0.85
TPSA63.99 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 2542204) is N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is AZUFFRJZBVEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-17-12(18)7-6-11(16-17)13(19)15-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2542204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).