3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone

C16H19N5O3 — CID 139001613

About 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone

3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone (PubChem CID 139001613) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
• PubChem CID: 139001613
• Molecular Formula: C16H19N5O3
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.15
• IUPAC Name: 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
• SMILES: CC(O)c1cn(C2CN(C(=O)c3cc4c(cn3)OCCC4)C2)nn1
• InChI: InChI=1S/C16H19N5O3/c1-10(22)14-9-21(19-18-14)12-7-20(8-12)16(23)13-5-11-3-2-4-24-15(11)6-17-13/h5-6,9-10,12,22H,2-4,7-8H2,1H3
• InChIKey: JLMMXPYUYOAUMQ-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?

The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone (CID 139001613) is 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone is CC(O)c1cn(C2CN(C(=O)c3cc4c(cn3)OCCC4)C2)nn1.

What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?

The InChIKey is JLMMXPYUYOAUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10(22)14-9-21(19-18-14)12-7-20(8-12)16(23)13-5-11-3-2-4-24-15(11)6-17-13/h5-6,9-10,12,22H,2-4,7-8H2,1H3.

What are the key properties of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?

3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone has a molecular weight of 329.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 139001613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).