N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C11H14F3N3 — CID 66329255

IUPACN-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCC(Nc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H14F3N3/c1-17-5-3-9(7-17)16-10-6-8(2-4-15-10)11(12,13)14/h2,4,6,9H,3,5,7H2,1H3,(H,15,16)
InChIKeySJKSTPXMKYEUCY-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.22
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine

N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66329255) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66329255
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCC(Nc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H14F3N3/c1-17-5-3-9(7-17)16-10-6-8(2-4-15-10)11(12,13)14/h2,4,6,9H,3,5,7H2,1H3,(H,15,16)
InChIKeySJKSTPXMKYEUCY-UHFFFAOYSA-N
XLogP2.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 66329255) is N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine is CN1CCC(Nc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SJKSTPXMKYEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-17-5-3-9(7-17)16-10-6-8(2-4-15-10)11(12,13)14/h2,4,6,9H,3,5,7H2,1H3,(H,15,16).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 245.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66329255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).