2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide

C20H24F3N5O — CID 2741678

IUPAC2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
InChIInChI=1S/C20H24F3N5O/c1-19(2,3)18(29)26-15-5-7-17(25-13-15)28-10-8-27(9-11-28)16-6-4-14(12-24-16)20(21,22)23/h4-7,12-13H,8-11H2,1-3H3,(H,26,29)
InChIKeyHPYPIXCFGFNLML-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.81
Rot. Bonds3

About 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide (PubChem CID 2741678) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide
PubChem CID2741678
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1
InChIInChI=1S/C20H24F3N5O/c1-19(2,3)18(29)26-15-5-7-17(25-13-15)28-10-8-27(9-11-28)16-6-4-14(12-24-16)20(21,22)23/h4-7,12-13H,8-11H2,1-3H3,(H,26,29)
InChIKeyHPYPIXCFGFNLML-UHFFFAOYSA-N
XLogP3.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide (CID 2741678) is 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide?
The InChIKey is HPYPIXCFGFNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-19(2,3)18(29)26-15-5-7-17(25-13-15)28-10-8-27(9-11-28)16-6-4-14(12-24-16)20(21,22)23/h4-7,12-13H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 2741678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).