4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one

C17H17FN4O2 — CID 75422007

IUPAC4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1=O
InChIInChI=1S/C17H17FN4O2/c1-21-8-9-22(11-15(21)23)17(24)14-6-3-7-19-16(14)20-13-5-2-4-12(18)10-13/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeySMWRBYAUROZOLY-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.88
Rot. Bonds3

About 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one

4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 75422007) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
PubChem CID75422007
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1=O
InChIInChI=1S/C17H17FN4O2/c1-21-8-9-22(11-15(21)23)17(24)14-6-3-7-19-16(14)20-13-5-2-4-12(18)10-13/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeySMWRBYAUROZOLY-UHFFFAOYSA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97077466
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one (CID 75422007) is 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1=O.
What is the InChIKey of 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is SMWRBYAUROZOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-21-8-9-22(11-15(21)23)17(24)14-6-3-7-19-16(14)20-13-5-2-4-12(18)10-13/h2-7,10H,8-9,11H2,1H3,(H,19,20).
What are the key properties of 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one?
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 328.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 75422007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).