6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C15H21N5O4 — CID 95211677

About 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 95211677) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 95211677
• Molecular Formula: C15H21N5O4
• Molecular Weight: 335.36 g/mol
• Exact Mass: 335.16
• IUPAC Name: 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
• SMILES: CC(C)c1nc(CNC(=O)c2ccc(NC[C@@H](O)CO)nc2)no1
• InChI: InChI=1S/C15H21N5O4/c1-9(2)15-19-13(20-24-15)7-18-14(23)10-3-4-12(16-5-10)17-6-11(22)8-21/h3-5,9,11,21-22H,6-8H2,1-2H3,(H,16,17)(H,18,23)/t11-/m1/s1
• InChIKey: ZUBZBTLIUIANCA-LLVKDONJSA-N
• XLogP: 0.28
• TPSA: 133.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.36
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 95211677) is 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is CC(C)c1nc(CNC(=O)c2ccc(NC[C@@H](O)CO)nc2)no1.

What is the InChIKey of 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

The InChIKey is ZUBZBTLIUIANCA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-9(2)15-19-13(20-24-15)7-18-14(23)10-3-4-12(16-5-10)17-6-11(22)8-21/h3-5,9,11,21-22H,6-8H2,1-2H3,(H,16,17)(H,18,23)/t11-/m1/s1.

What are the key properties of 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?

6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 0.28, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95211677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).