2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide

C16H20N6O2 — CID 127789510

IUPAC2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc2n1CCCC2)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H20N6O2/c23-15(18-16-20-19-13-5-1-2-7-22(13)16)12-4-3-6-17-14(12)21-8-10-24-11-9-21/h3-4,6H,1-2,5,7-11H2,(H,18,20,23)
InChIKeyPZBKBUAMABQRTL-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.10
Rot. Bonds3

About 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide

2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide (PubChem CID 127789510) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide
PubChem CID127789510
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc2n1CCCC2)c1cccnc1N1CCOCC1
InChIInChI=1S/C16H20N6O2/c23-15(18-16-20-19-13-5-1-2-7-22(13)16)12-4-3-6-17-14(12)21-8-10-24-11-9-21/h3-4,6H,1-2,5,7-11H2,(H,18,20,23)
InChIKeyPZBKBUAMABQRTL-UHFFFAOYSA-N
XLogP1.10
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide (CID 127789510) is 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide is O=C(Nc1nnc2n1CCCC2)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide?
The InChIKey is PZBKBUAMABQRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(18-16-20-19-13-5-1-2-7-22(13)16)12-4-3-6-17-14(12)21-8-10-24-11-9-21/h3-4,6H,1-2,5,7-11H2,(H,18,20,23).
What are the key properties of 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide?
2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 127789510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).