N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C16H11F4N5O — CID 60526072

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C16H11F4N5O/c17-12-2-1-11(13(6-12)16(18,19)20)7-23-15(26)10-3-4-22-14(5-10)25-9-21-8-24-25/h1-6,8-9H,7H2,(H,23,26)
InChIKeyLMTIMOUXCAPUAW-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.75
Rot. Bonds4

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60526072) has the molecular formula C16H11F4N5O and a molecular weight of 365.29 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60526072
Molecular FormulaC16H11F4N5O
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C16H11F4N5O/c17-12-2-1-11(13(6-12)16(18,19)20)7-23-15(26)10-3-4-22-14(5-10)25-9-21-8-24-25/h1-6,8-9H,7H2,(H,23,26)
InChIKeyLMTIMOUXCAPUAW-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-(1H-benzimidazol-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479843
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
1-ethyl-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111889471
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60526072) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is LMTIMOUXCAPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O/c17-12-2-1-11(13(6-12)16(18,19)20)7-23-15(26)10-3-4-22-14(5-10)25-9-21-8-24-25/h1-6,8-9H,7H2,(H,23,26).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 365.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60526072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).