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

C19H17F4N3O — CID 146420029

IUPAC2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H17F4N3O/c1-26-7-5-11(6-8-26)18(23)15-3-2-4-16(24-15)25-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-10H,5-8H2,1H3,(H,24,25,27)
InChIKeyQCXSPEMRGSBSEO-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.16
Rot. Bonds3

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

2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (PubChem CID 146420029) has the molecular formula C19H17F4N3O and a molecular weight of 379.36 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
PubChem CID146420029
Molecular FormulaC19H17F4N3O
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H17F4N3O/c1-26-7-5-11(6-8-26)18(23)15-3-2-4-16(24-15)25-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-10H,5-8H2,1H3,(H,24,25,27)
InChIKeyQCXSPEMRGSBSEO-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (CID 146420029) is 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.
What is the InChIKey of 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The InChIKey is QCXSPEMRGSBSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O/c1-26-7-5-11(6-8-26)18(23)15-3-2-4-16(24-15)25-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-10H,5-8H2,1H3,(H,24,25,27).
What are the key properties of 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide has a molecular weight of 379.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 146420029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).