2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide

C16H22N6O — CID 56780086

IUPAC2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
SMILESCC(C)c1nc2n(n1)CC(NCC(=O)Nc1cccnc1)CC2
InChIInChI=1S/C16H22N6O/c1-11(2)16-20-14-6-5-13(10-22(14)21-16)18-9-15(23)19-12-4-3-7-17-8-12/h3-4,7-8,11,13,18H,5-6,9-10H2,1-2H3,(H,19,23)
InChIKeyUODMUPDJCFKJSF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide

2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide (PubChem CID 56780086) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
PubChem CID56780086
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
SMILESCC(C)c1nc2n(n1)CC(NCC(=O)Nc1cccnc1)CC2
InChIInChI=1S/C16H22N6O/c1-11(2)16-20-14-6-5-13(10-22(14)21-16)18-9-15(23)19-12-4-3-7-17-8-12/h3-4,7-8,11,13,18H,5-6,9-10H2,1-2H3,(H,19,23)
InChIKeyUODMUPDJCFKJSF-UHFFFAOYSA-N
XLogP1.34
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide (CID 56780086) is 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide is CC(C)c1nc2n(n1)CC(NCC(=O)Nc1cccnc1)CC2.
What is the InChIKey of 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide?
The InChIKey is UODMUPDJCFKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11(2)16-20-14-6-5-13(10-22(14)21-16)18-9-15(23)19-12-4-3-7-17-8-12/h3-4,7-8,11,13,18H,5-6,9-10H2,1-2H3,(H,19,23).
What are the key properties of 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide?
2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 56780086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).