N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H15FN4O3 — CID 131912086

IUPACN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)ccc1=O
InChIInChI=1S/C16H15FN4O3/c1-20-14(22)7-6-13(19-20)16(24)18-11-8-15(23)21(9-11)12-4-2-10(17)3-5-12/h2-7,11H,8-9H2,1H3,(H,18,24)
InChIKeyFAOIBINWDLAIHE-UHFFFAOYSA-N
MW330.32 g/mol
LogP0.45
Rot. Bonds3

About N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 131912086) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID131912086
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)ccc1=O
InChIInChI=1S/C16H15FN4O3/c1-20-14(22)7-6-13(19-20)16(24)18-11-8-15(23)21(9-11)12-4-2-10(17)3-5-12/h2-7,11H,8-9H2,1H3,(H,18,24)
InChIKeyFAOIBINWDLAIHE-UHFFFAOYSA-N
XLogP0.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45217208
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 131912086) is N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)ccc1=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FAOIBINWDLAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-20-14(22)7-6-13(19-20)16(24)18-11-8-15(23)21(9-11)12-4-2-10(17)3-5-12/h2-7,11H,8-9H2,1H3,(H,18,24).
What are the key properties of N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 131912086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).