N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide

C20H19F4N3O — CID 146420010

IUPACN-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESCCN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C20H19F4N3O/c1-2-27-8-6-12(7-9-27)19(24)16-4-3-5-17(25-16)26-20(28)18-14(22)10-13(21)11-15(18)23/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,28)
InChIKeyMMRUBCPRVFSXPS-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.55
Rot. Bonds4

About N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide

N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide (PubChem CID 146420010) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
PubChem CID146420010
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC NameN-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESCCN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C20H19F4N3O/c1-2-27-8-6-12(7-9-27)19(24)16-4-3-5-17(25-16)26-20(28)18-14(22)10-13(21)11-15(18)23/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,28)
InChIKeyMMRUBCPRVFSXPS-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide (CID 146420010) is N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide is CCN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.
What is the InChIKey of N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The InChIKey is MMRUBCPRVFSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-2-27-8-6-12(7-9-27)19(24)16-4-3-5-17(25-16)26-20(28)18-14(22)10-13(21)11-15(18)23/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,28).
What are the key properties of N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide has a molecular weight of 393.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 146420010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).