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

C14H16FN3O2 — CID 24544300

IUPACN-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-9(10-3-5-11(15)6-4-10)16-14(20)12-7-8-13(19)18(2)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)
InChIKeyITOJWORGVVGWOZ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.61
Rot. Bonds3

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

N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24544300) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24544300
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-9(10-3-5-11(15)6-4-10)16-14(20)12-7-8-13(19)18(2)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)
InChIKeyITOJWORGVVGWOZ-UHFFFAOYSA-N
XLogP1.61
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 31442892
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55892739
(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
CID 61143499
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767
N-[1-(4-ethylphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112762239
N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345580
N-[(1S)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345585
5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
CID 82854892
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
4-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 61243686
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
3-cyclopropyl-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 81362997

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24544300) is N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ITOJWORGVVGWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(10-3-5-11(15)6-4-10)16-14(20)12-7-8-13(19)18(2)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24544300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).