8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H31N3O3 — CID 90115913

About 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90115913) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90115913
• Molecular Formula: C21H31N3O3
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.24
• IUPAC Name: 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H](CO)C(C)C
• InChI: InChI=1S/C21H31N3O3/c1-14(2)17(12-25)23-21(26)19-15(3)22-20-18(10-7-11-24(19)20)27-13-16-8-5-4-6-9-16/h7,10-11,14,16-17,25H,4-6,8-9,12-13H2,1-3H3,(H,23,26)/t17-/m1/s1
• InChIKey: INHDYFGTAMRNLK-QGZVFWFLSA-N
• XLogP: 3.35
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90115913) is 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H](CO)C(C)C.

What is the InChIKey of 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is INHDYFGTAMRNLK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14(2)17(12-25)23-21(26)19-15(3)22-20-18(10-7-11-24(19)20)27-13-16-8-5-4-6-9-16/h7,10-11,14,16-17,25H,4-6,8-9,12-13H2,1-3H3,(H,23,26)/t17-/m1/s1.

What are the key properties of 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90115913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).