N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C14H16FN3O2 — CID 39437598

IUPACN-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2ccc(F)cc2)CCC1=O
InChIInChI=1S/C14H16FN3O2/c1-18-13(19)7-6-12(17-18)14(20)16-9-8-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,16,20)
InChIKeyYXEFTRVOEVLOPO-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 39437598) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID39437598
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2ccc(F)cc2)CCC1=O
InChIInChI=1S/C14H16FN3O2/c1-18-13(19)7-6-12(17-18)14(20)16-9-8-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,16,20)
InChIKeyYXEFTRVOEVLOPO-UHFFFAOYSA-N
XLogP1.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 39437598) is N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCCc2ccc(F)cc2)CCC1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YXEFTRVOEVLOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-18-13(19)7-6-12(17-18)14(20)16-9-8-10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 39437598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).