(6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C25H29N3O2 — CID 93013264

About (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013264) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 93013264
• Molecular Formula: C25H29N3O2
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.23
• IUPAC Name: (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CCCCCNC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2
• InChI: InChI=1S/C25H29N3O2/c1-2-3-7-16-26-25(29)23-18-28-17-20(12-15-24(28)27-23)19-10-13-22(14-11-19)30-21-8-5-4-6-9-21/h4-6,8-11,13-14,18,20H,2-3,7,12,15-17H2,1H3,(H,26,29)/t20-/m1/s1
• InChIKey: PLDIRZVVXABXDB-HXUWFJFHSA-N
• XLogP: 5.33
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013264) is (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CCCCCNC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2.

What is the InChIKey of (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is PLDIRZVVXABXDB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-3-7-16-26-25(29)23-18-28-17-20(12-15-24(28)27-23)19-10-13-22(14-11-19)30-21-8-5-4-6-9-21/h4-6,8-11,13-14,18,20H,2-3,7,12,15-17H2,1H3,(H,26,29)/t20-/m1/s1.

What are the key properties of (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

(6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).