N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C29H34F3N7O2 — CID 121434885

IUPACN-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NCCC1CCCCN1)c1ccc(Nc2nc3c(C4=CCN(C(=O)CCC(F)(F)F)CC4)cccn3n2)cc1
InChIInChI=1S/C29H34F3N7O2/c30-29(31,32)14-10-25(40)38-18-12-20(13-19-38)24-5-3-17-39-26(24)36-28(37-39)35-23-8-6-21(7-9-23)27(41)34-16-11-22-4-1-2-15-33-22/h3,5-9,12,17,22,33H,1-2,4,10-11,13-16,18-19H2,(H,34,41)(H,35,37)
InChIKeyUHEAARPMEWBKOZ-UHFFFAOYSA-N
MW569.63 g/mol
LogP4.69
Rot. Bonds9

About N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 121434885) has the molecular formula C29H34F3N7O2 and a molecular weight of 569.63 g/mol. Its IUPAC name is N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID121434885
Molecular FormulaC29H34F3N7O2
Molecular Weight569.63 g/mol
Exact Mass569.27
IUPAC NameN-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NCCC1CCCCN1)c1ccc(Nc2nc3c(C4=CCN(C(=O)CCC(F)(F)F)CC4)cccn3n2)cc1
InChIInChI=1S/C29H34F3N7O2/c30-29(31,32)14-10-25(40)38-18-12-20(13-19-38)24-5-3-17-39-26(24)36-28(37-39)35-23-8-6-21(7-9-23)27(41)34-16-11-22-4-1-2-15-33-22/h3,5-9,12,17,22,33H,1-2,4,10-11,13-16,18-19H2,(H,34,41)(H,35,37)
InChIKeyUHEAARPMEWBKOZ-UHFFFAOYSA-N
XLogP4.69
TPSA103.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.63
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 121434885) is N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NCCC1CCCCN1)c1ccc(Nc2nc3c(C4=CCN(C(=O)CCC(F)(F)F)CC4)cccn3n2)cc1.
What is the InChIKey of N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is UHEAARPMEWBKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O2/c30-29(31,32)14-10-25(40)38-18-12-20(13-19-38)24-5-3-17-39-26(24)36-28(37-39)35-23-8-6-21(7-9-23)27(41)34-16-11-22-4-1-2-15-33-22/h3,5-9,12,17,22,33H,1-2,4,10-11,13-16,18-19H2,(H,34,41)(H,35,37).
What are the key properties of N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 569.63 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 121434885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).