N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C16H15F3N2O2 — CID 111102526

IUPACN-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)14-7-6-12(9-20-14)15(23)21-10-13(22)8-11-4-2-1-3-5-11/h1-7,9,13,22H,8,10H2,(H,21,23)
InChIKeyCPQXPNPZHLSDAZ-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.43
Rot. Bonds5

About N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 111102526) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID111102526
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)14-7-6-12(9-20-14)15(23)21-10-13(22)8-11-4-2-1-3-5-11/h1-7,9,13,22H,8,10H2,(H,21,23)
InChIKeyCPQXPNPZHLSDAZ-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124844932
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697759
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 111102526) is N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC(O)Cc1ccccc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CPQXPNPZHLSDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)14-7-6-12(9-20-14)15(23)21-10-13(22)8-11-4-2-1-3-5-11/h1-7,9,13,22H,8,10H2,(H,21,23).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 111102526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).