N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C17H29N5O — CID 136562716

IUPACN,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCCN1CCC(N(C)C(=O)C2CCc3nc(C)nn3C2)CC1
InChIInChI=1S/C17H29N5O/c1-4-9-21-10-7-15(8-11-21)20(3)17(23)14-5-6-16-18-13(2)19-22(16)12-14/h14-15H,4-12H2,1-3H3
InChIKeyXWRNDTRCPMWDLF-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.48
Rot. Bonds4

About N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 136562716) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID136562716
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCCN1CCC(N(C)C(=O)C2CCc3nc(C)nn3C2)CC1
InChIInChI=1S/C17H29N5O/c1-4-9-21-10-7-15(8-11-21)20(3)17(23)14-5-6-16-18-13(2)19-22(16)12-14/h14-15H,4-12H2,1-3H3
InChIKeyXWRNDTRCPMWDLF-UHFFFAOYSA-N
XLogP1.48
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 136562716) is N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCCN1CCC(N(C)C(=O)C2CCc3nc(C)nn3C2)CC1.
What is the InChIKey of N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is XWRNDTRCPMWDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-9-21-10-7-15(8-11-21)20(3)17(23)14-5-6-16-18-13(2)19-22(16)12-14/h14-15H,4-12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 136562716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).