1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

C15H16F3N5O2 — CID 129357847

IUPAC1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1=O
InChIInChI=1S/C15H16F3N5O2/c1-22-5-2-3-10(14(22)25)13(24)19-8-12-21-20-11-7-9(15(16,17)18)4-6-23(11)12/h2-3,5,9H,4,6-8H2,1H3,(H,19,24)/t9-/m0/s1
InChIKeyXCVZCYGCEGDEQU-VIFPVBQESA-N
MW355.32 g/mol
LogP1.03
Rot. Bonds3

About 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 129357847) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID129357847
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1=O
InChIInChI=1S/C15H16F3N5O2/c1-22-5-2-3-10(14(22)25)13(24)19-8-12-21-20-11-7-9(15(16,17)18)4-6-23(11)12/h2-3,5,9H,4,6-8H2,1H3,(H,19,24)/t9-/m0/s1
InChIKeyXCVZCYGCEGDEQU-VIFPVBQESA-N
XLogP1.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-oxo-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 121022039
2-(1-methylindol-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129357884
2-propyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pentanamide
CID 136560413
(2S)-2-phenyl-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]butanamide
CID 129357478
2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129358054
2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129356841
2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129357905
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71808560
5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 129353225
1-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 90569423

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (CID 129357847) is 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is XCVZCYGCEGDEQU-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-22-5-2-3-10(14(22)25)13(24)19-8-12-21-20-11-7-9(15(16,17)18)4-6-23(11)12/h2-3,5,9H,4,6-8H2,1H3,(H,19,24)/t9-/m0/s1.
What are the key properties of 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 129357847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).