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

C21H19F4N3O — CID 146420009

IUPACN-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESO=C(Nc1cccc(C(F)=C2CCN(C3CC3)CC2)n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C21H19F4N3O/c22-13-10-15(23)19(16(24)11-13)21(29)27-18-3-1-2-17(26-18)20(25)12-6-8-28(9-7-12)14-4-5-14/h1-3,10-11,14H,4-9H2,(H,26,27,29)
InChIKeyXIUXRPXVQMOGIP-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.69
Rot. Bonds4

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

N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide (PubChem CID 146420009) has the molecular formula C21H19F4N3O and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
PubChem CID146420009
Molecular FormulaC21H19F4N3O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC NameN-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESO=C(Nc1cccc(C(F)=C2CCN(C3CC3)CC2)n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C21H19F4N3O/c22-13-10-15(23)19(16(24)11-13)21(29)27-18-3-1-2-17(26-18)20(25)12-6-8-28(9-7-12)14-4-5-14/h1-3,10-11,14H,4-9H2,(H,26,27,29)
InChIKeyXIUXRPXVQMOGIP-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide (CID 146420009) is N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide is O=C(Nc1cccc(C(F)=C2CCN(C3CC3)CC2)n1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The InChIKey is XIUXRPXVQMOGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O/c22-13-10-15(23)19(16(24)11-13)21(29)27-18-3-1-2-17(26-18)20(25)12-6-8-28(9-7-12)14-4-5-14/h1-3,10-11,14H,4-9H2,(H,26,27,29).
What are the key properties of N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide has a molecular weight of 405.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-cyclopropylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 146420009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).