N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C18H19N5O — CID 166299331

IUPACN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCc1ccc2nnc(CNC(=O)c3cccc4c3CNCC4)n2c1
InChIInChI=1S/C18H19N5O/c1-12-5-6-16-21-22-17(23(16)11-12)10-20-18(24)14-4-2-3-13-7-8-19-9-15(13)14/h2-6,11,19H,7-10H2,1H3,(H,20,24)
InChIKeyGMBZBHKCPQSKLY-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.61
Rot. Bonds3

About N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 166299331) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID166299331
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCc1ccc2nnc(CNC(=O)c3cccc4c3CNCC4)n2c1
InChIInChI=1S/C18H19N5O/c1-12-5-6-16-21-22-17(23(16)11-12)10-20-18(24)14-4-2-3-13-7-8-19-9-15(13)14/h2-6,11,19H,7-10H2,1H3,(H,20,24)
InChIKeyGMBZBHKCPQSKLY-UHFFFAOYSA-N
XLogP1.61
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 166299331) is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is Cc1ccc2nnc(CNC(=O)c3cccc4c3CNCC4)n2c1.
What is the InChIKey of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is GMBZBHKCPQSKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-5-6-16-21-22-17(23(16)11-12)10-20-18(24)14-4-2-3-13-7-8-19-9-15(13)14/h2-6,11,19H,7-10H2,1H3,(H,20,24).
What are the key properties of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 166299331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).