4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide

C19H19F2N3O — CID 146420181

IUPAC4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H19F2N3O/c1-24-11-9-13(10-12-24)18(21)16-3-2-4-17(22-16)23-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,23,25)
InChIKeyZGCJAVGYOSFLJB-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.88
Rot. Bonds3

About 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide

4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (PubChem CID 146420181) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
PubChem CID146420181
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H19F2N3O/c1-24-11-9-13(10-12-24)18(21)16-3-2-4-17(22-16)23-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,23,25)
InChIKeyZGCJAVGYOSFLJB-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (CID 146420181) is 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The InChIKey is ZGCJAVGYOSFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-24-11-9-13(10-12-24)18(21)16-3-2-4-17(22-16)23-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,23,25).
What are the key properties of 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 146420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).