N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C19H29N5O — CID 75489615

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCC1(C)CC(NC(=O)CCCc2nnc3ccccn23)CC(C)(C)N1
InChIInChI=1S/C19H29N5O/c1-18(2)12-14(13-19(3,4)23-18)20-17(25)10-7-9-16-22-21-15-8-5-6-11-24(15)16/h5-6,8,11,14,23H,7,9-10,12-13H2,1-4H3,(H,20,25)
InChIKeyOHXVBILBVHSUBF-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.48
Rot. Bonds5

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 75489615) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID75489615
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCC1(C)CC(NC(=O)CCCc2nnc3ccccn23)CC(C)(C)N1
InChIInChI=1S/C19H29N5O/c1-18(2)12-14(13-19(3,4)23-18)20-17(25)10-7-9-16-22-21-15-8-5-6-11-24(15)16/h5-6,8,11,14,23H,7,9-10,12-13H2,1-4H3,(H,20,25)
InChIKeyOHXVBILBVHSUBF-UHFFFAOYSA-N
XLogP2.48
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 75489615) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is CC1(C)CC(NC(=O)CCCc2nnc3ccccn23)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is OHXVBILBVHSUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-18(2)12-14(13-19(3,4)23-18)20-17(25)10-7-9-16-22-21-15-8-5-6-11-24(15)16/h5-6,8,11,14,23H,7,9-10,12-13H2,1-4H3,(H,20,25).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 343.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 75489615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).