6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C12H16F3N3O — CID 177168240

IUPAC6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ccc(C(F)(F)F)c(N2CC[C@@H](OC)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-10-4-3-9(12(13,14)15)11(17-10)18-6-5-8(7-18)19-2/h3-4,8H,5-7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyHXFUEKMAQWMANV-MRVPVSSYSA-N
MW275.27 g/mol
LogP2.37
Rot. Bonds3

About 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 177168240) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID177168240
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ccc(C(F)(F)F)c(N2CC[C@@H](OC)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-10-4-3-9(12(13,14)15)11(17-10)18-6-5-8(7-18)19-2/h3-4,8H,5-7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyHXFUEKMAQWMANV-MRVPVSSYSA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 177168240) is 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CNc1ccc(C(F)(F)F)c(N2CC[C@@H](OC)C2)n1.
What is the InChIKey of 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HXFUEKMAQWMANV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-10-4-3-9(12(13,14)15)11(17-10)18-6-5-8(7-18)19-2/h3-4,8H,5-7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 275.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-methoxypyrrolidin-1-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 177168240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).