3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide

C23H21FN4O2 — CID 169413011

IUPAC3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2cc(F)cc(C(=O)Nc3cccc(N4C(=O)CCC4C)c3)c2)nn1
InChIInChI=1S/C23H21FN4O2/c1-14-6-8-21(27-26-14)16-10-17(12-18(24)11-16)23(30)25-19-4-3-5-20(13-19)28-15(2)7-9-22(28)29/h3-6,8,10-13,15H,7,9H2,1-2H3,(H,25,30)
InChIKeyAKNXOFJSOMUGDA-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.36
Rot. Bonds4

About 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide

3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide (PubChem CID 169413011) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide
PubChem CID169413011
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2cc(F)cc(C(=O)Nc3cccc(N4C(=O)CCC4C)c3)c2)nn1
InChIInChI=1S/C23H21FN4O2/c1-14-6-8-21(27-26-14)16-10-17(12-18(24)11-16)23(30)25-19-4-3-5-20(13-19)28-15(2)7-9-22(28)29/h3-6,8,10-13,15H,7,9H2,1-2H3,(H,25,30)
InChIKeyAKNXOFJSOMUGDA-UHFFFAOYSA-N
XLogP4.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
CID 131889668
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131907566
2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
CID 164641938
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 97455360
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide (CID 169413011) is 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2cc(F)cc(C(=O)Nc3cccc(N4C(=O)CCC4C)c3)c2)nn1.
What is the InChIKey of 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is AKNXOFJSOMUGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-6-8-21(27-26-14)16-10-17(12-18(24)11-16)23(30)25-19-4-3-5-20(13-19)28-15(2)7-9-22(28)29/h3-6,8,10-13,15H,7,9H2,1-2H3,(H,25,30).
What are the key properties of 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide?
3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 404.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-5-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 169413011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).