6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

C18H21N3O6 — CID 67765328

About 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 67765328) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 67765328
• Molecular Formula: C18H21N3O6
• Molecular Weight: 375.38 g/mol
• Exact Mass: 375.14
• IUPAC Name: 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
• SMILES: CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(O[C@@H](C)CO)n1
• InChI: InChI=1S/C18H21N3O6/c1-10(2)26-15-6-13(7-16(21-15)27-11(3)9-22)17(23)20-14-5-4-12(8-19-14)18(24)25/h4-8,10-11,22H,9H2,1-3H3,(H,24,25)(H,19,20,23)/t11-/m0/s1
• InChIKey: ZXEUDVGYEWHAKA-NSHDSACASA-N
• XLogP: 1.97
• TPSA: 130.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.38
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 67765328) is 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(O[C@@H](C)CO)n1.

What is the InChIKey of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

The InChIKey is ZXEUDVGYEWHAKA-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N3O6/c1-10(2)26-15-6-13(7-16(21-15)27-11(3)9-22)17(23)20-14-5-4-12(8-19-14)18(24)25/h4-8,10-11,22H,9H2,1-3H3,(H,24,25)(H,19,20,23)/t11-/m0/s1.

What are the key properties of 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67765328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).