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

C19H19FN4O2 — CID 71784674

IUPACN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(Cc2cccc(F)c2)n2cccc2)ccc1=O
InChIInChI=1S/C19H19FN4O2/c1-23-18(25)8-7-17(22-23)19(26)21-13-16(24-9-2-3-10-24)12-14-5-4-6-15(20)11-14/h2-11,16H,12-13H2,1H3,(H,21,26)
InChIKeyUJFGTBGNJOFKLD-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.93
Rot. Bonds6

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

N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 71784674) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID71784674
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(Cc2cccc(F)c2)n2cccc2)ccc1=O
InChIInChI=1S/C19H19FN4O2/c1-23-18(25)8-7-17(22-23)19(26)21-13-16(24-9-2-3-10-24)12-14-5-4-6-15(20)11-14/h2-11,16H,12-13H2,1H3,(H,21,26)
InChIKeyUJFGTBGNJOFKLD-UHFFFAOYSA-N
XLogP1.93
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide
CID 71784681
N-[2-(3-fluorophenoxy)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71998964
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 56821713
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34963440
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111427471
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97039442
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 71784674) is N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(Cc2cccc(F)c2)n2cccc2)ccc1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is UJFGTBGNJOFKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-23-18(25)8-7-17(22-23)19(26)21-13-16(24-9-2-3-10-24)12-14-5-4-6-15(20)11-14/h2-11,16H,12-13H2,1H3,(H,21,26).
What are the key properties of N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71784674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).