3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H22N4O2 — CID 138993055

IUPAC3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCCN(C(=O)c1ccc2n[nH]c(=O)n2c1)C1CCc2ccccc2C1
InChIInChI=1S/C20H22N4O2/c1-2-11-23(17-9-7-14-5-3-4-6-15(14)12-17)19(25)16-8-10-18-21-22-20(26)24(18)13-16/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3,(H,22,26)
InChIKeyZKMUTULUTGCNBS-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.43
Rot. Bonds4

About 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 138993055) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID138993055
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCCN(C(=O)c1ccc2n[nH]c(=O)n2c1)C1CCc2ccccc2C1
InChIInChI=1S/C20H22N4O2/c1-2-11-23(17-9-7-14-5-3-4-6-15(14)12-17)19(25)16-8-10-18-21-22-20(26)24(18)13-16/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3,(H,22,26)
InChIKeyZKMUTULUTGCNBS-UHFFFAOYSA-N
XLogP2.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 138993055) is 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCCN(C(=O)c1ccc2n[nH]c(=O)n2c1)C1CCc2ccccc2C1.
What is the InChIKey of 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is ZKMUTULUTGCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-11-23(17-9-7-14-5-3-4-6-15(14)12-17)19(25)16-8-10-18-21-22-20(26)24(18)13-16/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3,(H,22,26).
What are the key properties of 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 138993055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).