N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H14F3N5O — CID 167991782

IUPACN-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)15-7-6-13(10-22-15)16(26)21-8-9-25-11-14(23-24-25)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,26)
InChIKeyPHEHSNUFQHAUPP-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167991782) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167991782
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC NameN-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)15-7-6-13(10-22-15)16(26)21-8-9-25-11-14(23-24-25)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,26)
InChIKeyPHEHSNUFQHAUPP-UHFFFAOYSA-N
XLogP2.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
CID 146152118
5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
CID 146152132
N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122143388
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276
N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
CID 166387836
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
CID 135122283
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 43638815
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167991782) is N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PHEHSNUFQHAUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c18-17(19,20)15-7-6-13(10-22-15)16(26)21-8-9-25-11-14(23-24-25)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,26).
What are the key properties of N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167991782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).