N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide

C17H17F3N2O2 — CID 97237273

IUPACN-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-2-14(22-16(24)12-7-9-21-10-8-12)15(23)11-3-5-13(6-4-11)17(18,19)20/h3-10,14-15,23H,2H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyCDLFFGISCDZVKE-GJZGRUSLSA-N
MW338.33 g/mol
LogP3.34
Rot. Bonds5

About N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide

N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide (PubChem CID 97237273) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide
PubChem CID97237273
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2/c1-2-14(22-16(24)12-7-9-21-10-8-12)15(23)11-3-5-13(6-4-11)17(18,19)20/h3-10,14-15,23H,2H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyCDLFFGISCDZVKE-GJZGRUSLSA-N
XLogP3.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide
CID 166179220
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1H-pyrrole-2-carboxamide
CID 97237297
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75447518
1-[(1S,2R)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-methoxyethyl)urea
CID 96530958
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
4-(4-fluorobenzoyl)-N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 22262341
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
CID 65190896
2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 133302722
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide (CID 97237273) is N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide is CC[C@H](NC(=O)c1ccncc1)[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide?
The InChIKey is CDLFFGISCDZVKE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-14(22-16(24)12-7-9-21-10-8-12)15(23)11-3-5-13(6-4-11)17(18,19)20/h3-10,14-15,23H,2H2,1H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide?
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97237273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).