[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen

C22H26F3N3O2 — CID 162136037

IUPAC[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
SMILESCc1ncccc1C(=O)c1nc(NC(C)[C@@H](O)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H20F3N3O2.3H2/c1-13-16(9-6-12-26-13)21(30)19-17(22(23,24)25)10-11-18(28-19)27-14(2)20(29)15-7-4-3-5-8-15;;;/h3-12,14,20,29H,1-2H3,(H,27,28);3*1H/t14?,20-;;;/m1.../s1
InChIKeyZJHLAJORYKVZSU-UZVKZZEFSA-N
MW421.46 g/mol
LogP5.31
Rot. Bonds6

About [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen

[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen (PubChem CID 162136037) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
PubChem CID162136037
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
SMILESCc1ncccc1C(=O)c1nc(NC(C)[C@@H](O)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H20F3N3O2.3H2/c1-13-16(9-6-12-26-13)21(30)19-17(22(23,24)25)10-11-18(28-19)27-14(2)20(29)15-7-4-3-5-8-15;;;/h3-12,14,20,29H,1-2H3,(H,27,28);3*1H/t14?,20-;;;/m1.../s1
InChIKeyZJHLAJORYKVZSU-UZVKZZEFSA-N
XLogP5.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[[4-(aminomethyl)cyclohexyl]methylamino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 158191323
[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen
CID 160611907
[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159182501
(2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
CID 160984373
[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739969
[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159617044
3,3,3-trifluoro-N-(1-hydroxy-1-phenylpropan-2-yl)-2-oxopropanamide
CID 19783022
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954

Frequently Asked Questions

What is the IUPAC name of [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
The IUPAC name of [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen (CID 162136037) is [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen.
What is the SMILES notation for [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
The canonical SMILES for [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen is Cc1ncccc1C(=O)c1nc(NC(C)[C@@H](O)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].
What is the InChIKey of [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
The InChIKey is ZJHLAJORYKVZSU-UZVKZZEFSA-N. The full InChI is InChI=1S/C22H20F3N3O2.3H2/c1-13-16(9-6-12-26-13)21(30)19-17(22(23,24)25)10-11-18(28-19)27-14(2)20(29)15-7-4-3-5-8-15;;;/h3-12,14,20,29H,1-2H3,(H,27,28);3*1H/t14?,20-;;;/m1.../s1.
What are the key properties of [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen?
[6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen has a molecular weight of 421.46 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen is sourced from PubChem (CID 162136037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).