cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate

C21H24N6O3 — CID 134203939

IUPACcyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)cn2n1
InChIInChI=1S/C21H24N6O3/c1-13-18(24-21(29)30-17-6-4-3-5-7-17)10-16(11-22-13)15-8-9-19-25-20(23-14(2)28)26-27(19)12-15/h8-12,17H,3-7H2,1-2H3,(H,24,29)(H,23,26,28)
InChIKeyBXYIBYOOQIZEAQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.94
Rot. Bonds4

About cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate

cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 134203939) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
PubChem CID134203939
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Namecyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)cn2n1
InChIInChI=1S/C21H24N6O3/c1-13-18(24-21(29)30-17-6-4-3-5-7-17)10-16(11-22-13)15-8-9-19-25-20(23-14(2)28)26-27(19)12-15/h8-12,17H,3-7H2,1-2H3,(H,24,29)(H,23,26,28)
InChIKeyBXYIBYOOQIZEAQ-UHFFFAOYSA-N
XLogP3.94
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate (CID 134203939) is cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate is CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)cn2n1.
What is the InChIKey of cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is BXYIBYOOQIZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-13-18(24-21(29)30-17-6-4-3-5-7-17)10-16(11-22-13)15-8-9-19-25-20(23-14(2)28)26-27(19)12-15/h8-12,17H,3-7H2,1-2H3,(H,24,29)(H,23,26,28).
What are the key properties of cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 408.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).