(2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C19H24F3N3O — CID 118429429

IUPAC(2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)c1F
InChIInChI=1S/C19H24F3N3O/c1-11(2)9-19(4,23)10-26-15-6-5-14(25-17(15)18(21)22)13-7-8-24-12(3)16(13)20/h5-8,11,18H,9-10,23H2,1-4H3/t19-/m0/s1
InChIKeyPJYKLDMCKAFIQS-IBGZPJMESA-N
MW367.42 g/mol
LogP4.67
Rot. Bonds7

About (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429429) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429429
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)c1F
InChIInChI=1S/C19H24F3N3O/c1-11(2)9-19(4,23)10-26-15-6-5-14(25-17(15)18(21)22)13-7-8-24-12(3)16(13)20/h5-8,11,18H,9-10,23H2,1-4H3/t19-/m0/s1
InChIKeyPJYKLDMCKAFIQS-IBGZPJMESA-N
XLogP4.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429429) is (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)c1F.
What is the InChIKey of (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is PJYKLDMCKAFIQS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-11(2)9-19(4,23)10-26-15-6-5-14(25-17(15)18(21)22)13-7-8-24-12(3)16(13)20/h5-8,11,18H,9-10,23H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(difluoromethyl)-6-(3-fluoro-2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).