[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone

C20H16F3N3O2 — CID 67739969

IUPAC[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-9-17(25-12-16(27)13-5-2-1-3-6-13)26-18(15)19(28)14-7-4-10-24-11-14/h1-11,16,27H,12H2,(H,25,26)/t16-/m1/s1
InChIKeyINTXBNXOMCKDOX-MRXNPFEDSA-N
MW387.36 g/mol
LogP3.87
Rot. Bonds6

About [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone

[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 67739969) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone
PubChem CID67739969
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-9-17(25-12-16(27)13-5-2-1-3-6-13)26-18(15)19(28)14-7-4-10-24-11-14/h1-11,16,27H,12H2,(H,25,26)/t16-/m1/s1
InChIKeyINTXBNXOMCKDOX-MRXNPFEDSA-N
XLogP3.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 162136037
(2,2,2-trifluoroacetyl) 4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoate
CID 87729719
4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 69194326
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
CID 10085854
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946

Frequently Asked Questions

What is the IUPAC name of [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone (CID 67739969) is [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is INTXBNXOMCKDOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-9-17(25-12-16(27)13-5-2-1-3-6-13)26-18(15)19(28)14-7-4-10-24-11-14/h1-11,16,27H,12H2,(H,25,26)/t16-/m1/s1.
What are the key properties of [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone?
[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 387.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67739969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).