3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide

C23H20FN3O2 — CID 118935697

About 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide

3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide (PubChem CID 118935697) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide
• PubChem CID: 118935697
• Molecular Formula: C23H20FN3O2
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.15
• IUPAC Name: 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide
• SMILES: NC(=O)c1ncccc1CN(C(=O)c1ccccc1)[C@@H]1CCc2ccc(F)cc21
• InChI: InChI=1S/C23H20FN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)14-17-7-4-12-26-21(17)22(25)28/h1-8,10,12-13,20H,9,11,14H2,(H2,25,28)/t20-/m1/s1
• InChIKey: ZWDWCLBBSLVCMB-HXUWFJFHSA-N
• XLogP: 3.65
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide?

The IUPAC name of 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide (CID 118935697) is 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide?

The canonical SMILES for 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide is NC(=O)c1ncccc1CN(C(=O)c1ccccc1)[C@@H]1CCc2ccc(F)cc21.

What is the InChIKey of 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide?

The InChIKey is ZWDWCLBBSLVCMB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)14-17-7-4-12-26-21(17)22(25)28/h1-8,10,12-13,20H,9,11,14H2,(H2,25,28)/t20-/m1/s1.

What are the key properties of 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide?

3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118935697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).