N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H24N4O3 — CID 163307511

IUPACN-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOC1CCC(NC(=O)C2CCc3nn(C)c(=O)n3C2)CC1
InChIInChI=1S/C15H24N4O3/c1-18-15(21)19-9-10(3-8-13(19)17-18)14(20)16-11-4-6-12(22-2)7-5-11/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyNJCAJTXUSDXVTK-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.22
Rot. Bonds3

About N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 163307511) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID163307511
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOC1CCC(NC(=O)C2CCc3nn(C)c(=O)n3C2)CC1
InChIInChI=1S/C15H24N4O3/c1-18-15(21)19-9-10(3-8-13(19)17-18)14(20)16-11-4-6-12(22-2)7-5-11/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyNJCAJTXUSDXVTK-UHFFFAOYSA-N
XLogP0.22
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 163307511) is N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COC1CCC(NC(=O)C2CCc3nn(C)c(=O)n3C2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is NJCAJTXUSDXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-15(21)19-9-10(3-8-13(19)17-18)14(20)16-11-4-6-12(22-2)7-5-11/h10-12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 163307511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).