2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine

C13H19F3N2 — CID 162608256

IUPAC2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=C(C(F)(F)F)C=C(CC2CCNC2)C1C
InChIInChI=1S/C13H19F3N2/c1-8-9(2)18-12(13(14,15)16)6-11(8)5-10-3-4-17-7-10/h6,8-10,17H,3-5,7H2,1-2H3
InChIKeyNOMDGIWUAZCQCE-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.95
Rot. Bonds2

About 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine

2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 162608256) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID162608256
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1N=C(C(F)(F)F)C=C(CC2CCNC2)C1C
InChIInChI=1S/C13H19F3N2/c1-8-9(2)18-12(13(14,15)16)6-11(8)5-10-3-4-17-7-10/h6,8-10,17H,3-5,7H2,1-2H3
InChIKeyNOMDGIWUAZCQCE-UHFFFAOYSA-N
XLogP2.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine (CID 162608256) is 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine is CC1N=C(C(F)(F)F)C=C(CC2CCNC2)C1C.
What is the InChIKey of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is NOMDGIWUAZCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-8-9(2)18-12(13(14,15)16)6-11(8)5-10-3-4-17-7-10/h6,8-10,17H,3-5,7H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine?
2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 260.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 162608256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).