3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide

C17H18N6O — CID 154742725

IUPAC3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1nnc2cc(C(=O)NCc3cccc4c3CCCN4)cnc21
InChIInChI=1S/C17H18N6O/c1-23-16-15(21-22-23)8-12(10-19-16)17(24)20-9-11-4-2-6-14-13(11)5-3-7-18-14/h2,4,6,8,10,18H,3,5,7,9H2,1H3,(H,20,24)
InChIKeyQIQBZMRCSJGCET-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.65
Rot. Bonds3

About 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 154742725) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID154742725
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1nnc2cc(C(=O)NCc3cccc4c3CCCN4)cnc21
InChIInChI=1S/C17H18N6O/c1-23-16-15(21-22-23)8-12(10-19-16)17(24)20-9-11-4-2-6-14-13(11)5-3-7-18-14/h2,4,6,8,10,18H,3,5,7,9H2,1H3,(H,20,24)
InChIKeyQIQBZMRCSJGCET-UHFFFAOYSA-N
XLogP1.65
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide (CID 154742725) is 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide is Cn1nnc2cc(C(=O)NCc3cccc4c3CCCN4)cnc21.
What is the InChIKey of 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QIQBZMRCSJGCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-23-16-15(21-22-23)8-12(10-19-16)17(24)20-9-11-4-2-6-14-13(11)5-3-7-18-14/h2,4,6,8,10,18H,3,5,7,9H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 154742725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).