N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide

C16H19N3O2 — CID 110001686

About N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 110001686) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 110001686
• Molecular Formula: C16H19N3O2
• Molecular Weight: 285.35 g/mol
• Exact Mass: 285.15
• IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
• SMILES: O=C(N[C@H](CO)c1ccccc1)C1CCCn2ccnc21
• InChI: InChI=1S/C16H19N3O2/c20-11-14(12-5-2-1-3-6-12)18-16(21)13-7-4-9-19-10-8-17-15(13)19/h1-3,5-6,8,10,13-14,20H,4,7,9,11H2,(H,18,21)/t13?,14-/m1/s1
• InChIKey: BSXPNBFYJBSHRU-ARLHGKGLSA-N
• XLogP: 1.61
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.35
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide (CID 110001686) is N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide is O=C(N[C@H](CO)c1ccccc1)C1CCCn2ccnc21.

What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is BSXPNBFYJBSHRU-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-11-14(12-5-2-1-3-6-12)18-16(21)13-7-4-9-19-10-8-17-15(13)19/h1-3,5-6,8,10,13-14,20H,4,7,9,11H2,(H,18,21)/t13?,14-/m1/s1.

What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?

N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 110001686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).