6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C12H16F3N3O — CID 103541738

IUPAC6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(N2CCC(OC)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-10-5-8(12(13,14)15)6-11(17-10)18-4-3-9(7-18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyBQVPXNBHRNYGPY-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.37
Rot. Bonds3

About 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 103541738) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID103541738
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(N2CCC(OC)C2)n1
InChIInChI=1S/C12H16F3N3O/c1-16-10-5-8(12(13,14)15)6-11(17-10)18-4-3-9(7-18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyBQVPXNBHRNYGPY-UHFFFAOYSA-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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Related Compounds

[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720443
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
N-methyl-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717162
6-(2,6-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102717181
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
2-[(3S)-3-methoxypyrrolidin-1-yl]-N,6-dimethylpyridin-4-amine
CID 154661534
4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030
N-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718789
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
[6-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 103504770
5-[6-(4-methoxypiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
CID 118862367
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 103541738) is 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(N2CCC(OC)C2)n1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BQVPXNBHRNYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-16-10-5-8(12(13,14)15)6-11(17-10)18-4-3-9(7-18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(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-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103541738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).