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

C14H14FN3O2 — CID 17429467

IUPACN-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(C)n1)c1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-9(10-5-3-4-6-11(10)15)16-14(20)12-7-8-13(19)18(2)17-12/h3-9H,1-2H3,(H,16,20)
InChIKeyGBUBZECRXWHVQI-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.41
Rot. Bonds3

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

N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 17429467) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID17429467
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(C)n1)c1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-9(10-5-3-4-6-11(10)15)16-14(20)12-7-8-13(19)18(2)17-12/h3-9H,1-2H3,(H,16,20)
InChIKeyGBUBZECRXWHVQI-UHFFFAOYSA-N
XLogP1.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96549223
N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51145335
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61041832
N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 125165596
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 17429467) is N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(C)n1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is GBUBZECRXWHVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9(10-5-3-4-6-11(10)15)16-14(20)12-7-8-13(19)18(2)17-12/h3-9H,1-2H3,(H,16,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 17429467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).