N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

C15H11F3N4O2 — CID 139532915

IUPACN-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nnn2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-11-6-4-10(5-7-11)14(23)19-9-12-13-3-1-2-8-22(13)21-20-12/h1-8H,9H2,(H,19,23)
InChIKeyVKBYUVQFIHLTQS-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.56
Rot. Bonds4

About N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 139532915) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
PubChem CID139532915
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nnn2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-11-6-4-10(5-7-11)14(23)19-9-12-13-3-1-2-8-22(13)21-20-12/h1-8H,9H2,(H,19,23)
InChIKeyVKBYUVQFIHLTQS-UHFFFAOYSA-N
XLogP2.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(Difluoromethoxy)-3-(2-(2-pyridinyl)ethynyl)phenyl)(5,7-dihydro-6H-pyrrolo(3,4-b)pyridin-6-yl)methanone
CID 59548652
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
4-(difluoromethoxy)-N-(2-pyridin-2-ylethyl)benzamide
CID 2568535
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-2-carboxamide
CID 44218487
3-oxo-2-(1-pyridin-2-ylpropan-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44476261
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544347
3-oxo-2-(2-pyrazin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544441
2-(2,2-difluoro-2-pyridin-2-ylethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545053
3-oxo-2-(3-pyridin-2-ylpropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545055
N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 2038965
N-[2-(1H-indol-1-yl)ethyl]-4-methoxybenzamide
CID 3236755
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-(pyridin-3-YL)ethyl]-4-methoxybenzamide
CID 16017332

Frequently Asked Questions

What is the IUPAC name of N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (CID 139532915) is N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is O=C(NCc1nnn2ccccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is VKBYUVQFIHLTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)24-11-6-4-10(5-7-11)14(23)19-9-12-13-3-1-2-8-22(13)21-20-12/h1-8H,9H2,(H,19,23).
What are the key properties of N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 336.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 139532915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).