(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine

C19H24F3N3O — CID 118429898

IUPAC(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine
SMILESCc1cc(-c2cc(C(F)F)c(OC[C@](N)(CF)CC(C)C)cn2)ccn1
InChIInChI=1S/C19H24F3N3O/c1-12(2)8-19(23,10-20)11-26-17-9-25-16(7-15(17)18(21)22)14-4-5-24-13(3)6-14/h4-7,9,12,18H,8,10-11,23H2,1-3H3/t19-/m1/s1
InChIKeyCVSCNGLMPXLZJZ-LJQANCHMSA-N
MW367.42 g/mol
LogP4.48
Rot. Bonds8

About (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine

(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine (PubChem CID 118429898) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine
PubChem CID118429898
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine
SMILESCc1cc(-c2cc(C(F)F)c(OC[C@](N)(CF)CC(C)C)cn2)ccn1
InChIInChI=1S/C19H24F3N3O/c1-12(2)8-19(23,10-20)11-26-17-9-25-16(7-15(17)18(21)22)14-4-5-24-13(3)6-14/h4-7,9,12,18H,8,10-11,23H2,1-3H3/t19-/m1/s1
InChIKeyCVSCNGLMPXLZJZ-LJQANCHMSA-N
XLogP4.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine (CID 118429898) is (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine is Cc1cc(-c2cc(C(F)F)c(OC[C@](N)(CF)CC(C)C)cn2)ccn1.
What is the InChIKey of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
The InChIKey is CVSCNGLMPXLZJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-12(2)8-19(23,10-20)11-26-17-9-25-16(7-15(17)18(21)22)14-4-5-24-13(3)6-14/h4-7,9,12,18H,8,10-11,23H2,1-3H3/t19-/m1/s1.
What are the key properties of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 118429898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).