N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide

C19H25N5O3 — CID 54639323

About N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide

N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide (PubChem CID 54639323) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
• PubChem CID: 54639323
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
• SMILES: O=C(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1cccnc1
• InChI: InChI=1S/C19H25N5O3/c25-12-18-16(21-19(26)14-2-1-8-20-10-14)6-5-15(27-18)7-9-24-11-17(22-23-24)13-3-4-13/h1-2,8,10-11,13,15-16,18,25H,3-7,9,12H2,(H,21,26)/t15-,16-,18-/m1/s1
• InChIKey: HDVOKISSOHDMNH-JFIYKMOQSA-N
• XLogP: 1.28
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide (CID 54639323) is N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1cccnc1.

What is the InChIKey of N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?

The InChIKey is HDVOKISSOHDMNH-JFIYKMOQSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-12-18-16(21-19(26)14-2-1-8-20-10-14)6-5-15(27-18)7-9-24-11-17(22-23-24)13-3-4-13/h1-2,8,10-11,13,15-16,18,25H,3-7,9,12H2,(H,21,26)/t15-,16-,18-/m1/s1.

What are the key properties of N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide?

N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 54639323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).