N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

C13H18F3N3O — CID 102719917

IUPACN-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCCN2CCCC2)n1
InChIInChI=1S/C13H18F3N3O/c1-17-11-8-10(13(14,15)16)9-12(18-11)20-7-6-19-4-2-3-5-19/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyOGXDETDYEJIYKP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719917) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719917
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCCN2CCCC2)n1
InChIInChI=1S/C13H18F3N3O/c1-17-11-8-10(13(14,15)16)9-12(18-11)20-7-6-19-4-2-3-5-19/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyOGXDETDYEJIYKP-UHFFFAOYSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719917) is N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(OCCN2CCCC2)n1.
What is the InChIKey of N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OGXDETDYEJIYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-17-11-8-10(13(14,15)16)9-12(18-11)20-7-6-19-4-2-3-5-19/h8-9H,2-7H2,1H3,(H,17,18).
What are the key properties of N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).